이름: (3-Cyano-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-9-yl)-propynoic acid methyl ester
SMILES:
COC(=O)C#Cc1cc2c(cc1OC)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=OMolecular Processing
Molecular formula
C24H18N2O4
Molecular weight
398.42
Exact mass
398.1267
XLogP
3.44
TPSA
92.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
110.46
Supplementary Information
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