이름: 1-(4-fluorostyryl)-4-methyl-7,8-methylenedioxy-5H-2,3-benzodiazepine
SMILES:
CC1=NN=C(C=Cc2ccc(F)cc2)c2cc3c(cc2C1)OCO3Molecular Processing
Molecular formula
C19H15FN2O2
Molecular weight
322.34
Exact mass
322.1118
XLogP
3.99
TPSA
43.18
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
91.35
Supplementary Information
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