C1CC2=C(C=CC=N2)C(=O)C1CC3=CN=CN3
Name: 6-(1H-imidazol-5-ylmethyl)-7,8-dihydro-6H-quinolin-5-one
SMILES: C1CC2=C(C=CC=N2)C(=O)C1CC3=CN=CN3

Molecular Processing

Molecular formula
C13H13N3O
Molecular weight
227.27
Exact mass
227.1059
XLogP
1.79
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
0.308
Molar refractivity
62.67

Supplementary Information

InChIKey: LMZRFCHKEGSPIJ-UHFFFAOYSA-N
Synonyme
SCHEMBL1339177LMZRFCHKEGSPIJ-UHFFFAOYSA-N6-(1H-imidazol-4-ylmethyl)-7,8-dihydro-6H-quinolin-5-one
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