이름: 3-(3-chloropropyl)-1-(4-methoxybenzyl)-6-nitro-3,4-dihydroquinolin-2(1H)-one
SMILES:
COc1ccc(CN2C(=O)C(CCCCl)Cc3cc([N+](=O)[O-])ccc32)cc1Molecular Processing
Molecular formula
C20H21ClN2O4
Molecular weight
388.85
Exact mass
388.119
XLogP
4.33
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.43
Supplementary Information
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