COc1c(N)c(C#N)c(C)c(-c2ccccc2)c1F
名称: 2-amino-4-fluoro-3-methoxy-6-methyl-5-phenylbenzonitrile
SMILES: COc1c(N)c(C#N)c(C)c(-c2ccccc2)c1F

Molecular Processing

Molecular formula
C15H13FN2O
Molecular weight
256.28
Exact mass
256.1012
XLogP
3.26
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
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
0.133
Molar refractivity
72.25

Supplementary Information

InChIKey: HJARPQBDQZRLKD-UHFFFAOYSA-N
同義語
SCHEMBL3296637HJARPQBDQZRLKD-UHFFFAOYSA-N4-Amino-3-cyano-6-fluoro-5-methoxy-2-methylbiphenyl
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