COC1=C(C=C2C(=C1)C(=CN=N2)Cl)O
名称: 4-chloro-6-methoxycinnolin-7-ol
SMILES: COC1=C(C=C2C(=C1)C(=CN=N2)Cl)O

Molecular Processing

Molecular formula
C9H7ClN2O2
Molecular weight
210.62
Exact mass
210.0196
XLogP
2
TPSA
55.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.76

Supplementary Information

InChIKey: BZQJRBWTDBHAHT-UHFFFAOYSA-N
同義語
SCHEMBL5024063BZQJRBWTDBHAHT-UHFFFAOYSA-N4-chloro-7-hydroxy-6-methoxycinnoline
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