Molecule

ID:32476

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O
Molecular Mass
158.58558
Exact Mass
158.02469053
Charge
0
InChI
InChI=1S/C6H7ClN2O/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,8H2,1H3
InChIKey
XVGSBGURKNXSFW-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1Cl)N
Isomeric Smiles
c1(cncc(c1Cl)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.35317132
LogD (pH = 7.4)
0.37276387
Log P
0.37302086
Molar Refractivity
39.8695
Polarizability
15.0360565
Polar Surface Area
48.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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