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====== BASIC PROPERTIES ======


**Components:** Number of components of the entry

**Mass:** Average molecular mass calculated from the atomic masses of all isotopes weighted by their natural occurrence

**Chiral centers:** Number of chiral centers
R/S chiral centers: Number of chiral centers with R or S configurations

**Unknown chiral centers:** Number of chiral centers with unknown configuration

**Undefined chiral centers:** Number of chiral centers with undefined configuration

**Stereo double bonds:** Number of stereo double bonds

**Cis-trans stereo double bonds:** Number of stereo double bonds with cis or trans configuration

**Unknown stereo double bonds:** Number of stereo double bonds with unknown configuration

**Undefined stereo double bonds:** Number of stereo double bonds with undefined configuration

**Atoms:** Number of atoms

**Heavy atoms:** Number of heavy atoms

**Hydrogen atoms:** Number of H atoms

**Heteroatoms:** Number of atoms except C and H atoms

**N/O atoms:** Number of N and O atoms

**Inorganic atoms:** Number of atoms except H, C, N, O, S, P, F, Cl, Br, I and B atoms

**Halogen atoms:** Number of F, Cl, Br and I atoms

**logP:** Logarithm of the octanol/water partition coefficient

**PSA:** Polar surface area

**Refractivity:** Molar refractivity

**Rings:** Number of rings

**Rotatable bonds:** Number of rotatable bonds

**H-bond donors:** Number of H-bond donors

**H-bond acceptors:** Number of H-bond acceptors

**RO5 violations:** Number of [[http://en.wikipedia.org/wiki/Rule_of_five|rule-of-five]] violations

**RO3 violations:** Number of [[http://www.nature.com/nrd/journal/v3/n8/box/nrd1467_BX1.html|rule-of-three]] violations