Name: 9-chloro-2-phenyl-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3(2H)-one
SMILES:
O=C1CC2CCc3ccc(Cl)cc3C2=NN1c1ccccc1Molecular Processing
Molecular formula
C18H15ClN2O
Molecular weight
310.78
Exact mass
310.0873
XLogP
4.04
TPSA
32.67
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
88.35
Supplementary Information
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