Name: 7-(2,3-dichlorophenyl)-4-methyl-5,6,7,8-tetrahydroquinolin-5-one
SMILES:
Cc1ccnc2c1C(=O)CC(c1cccc(Cl)c1Cl)C2Molecular Processing
Molecular formula
C16H13Cl2NO
Molecular weight
306.19
Exact mass
305.0374
XLogP
4.61
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
80.83
Supplementary Information
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