Name: 8,9-dichloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
SMILES:
CC1CCc2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C14H11Cl2NO3
Molecular weight
312.15
Exact mass
311.0116
XLogP
3.51
TPSA
59.3
H-bond donors
1
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
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
78.22
Supplementary Information
Details werden geladen…
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