CCc1cc2c(cc1I)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
名称: 9-ethyl-6,6-dimethyl-8-iodo-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
SMILES: CCc1cc2c(cc1I)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

Molecular Processing

Molecular formula
C21H17IN2O
Molecular weight
440.28
Exact mass
440.0386
XLogP
5.08
TPSA
56.65
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
107.11

Supplementary Information

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