Name: 3-chloro-5-(4-hydroxyphenyl)isonicotinonitrile
SMILES:
N#Cc1c(Cl)cncc1-c1ccc(O)cc1Molecular Processing
Molecular formula
C12H7ClN2O
Molecular weight
230.65
Exact mass
230.0247
XLogP
2.98
TPSA
56.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.06
Supplementary Information
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