COc1ccc(CN2C(=O)CCc3cc([N+](=O)[O-])ccc32)cc1
CAS: 1063406-38-1
이름: 1-[(4-methoxyphenyl)methyl]-6-nitro-3,4-dihydroquinolin-2-one
SMILES: COc1ccc(CN2C(=O)CCc3cc([N+](=O)[O-])ccc32)cc1

Molecular Processing

Molecular formula
C17H16N2O4
Molecular weight
312.32
Exact mass
312.111
XLogP
3.08
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
85.6

Supplementary Information

InChIKey: WADZQBPUZWZBNP-UHFFFAOYSA-N
동의어
1063406-38-11-(4-methoxybenzyl)-6-nitro-3,4-dihydroquinolin-2(1H)-oneSCHEMBL2675190WADZQBPUZWZBNP-UHFFFAOYSA-NDA-48053
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