Name: 4-chloro-7-methoxycinnoline
SMILES:
COc1ccc2c(Cl)cnnc2c1Molecular Processing
Molecular formula
C9H7ClN2O
Molecular weight
194.62
Exact mass
194.0247
XLogP
2.29
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
51.1
Supplementary Information
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