Molecule

ID:22132

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃O
Molecular Mass
173.60022
Exact Mass
173.03558957
Charge
0
InChI
InChI=1S/C6H7N3O.ClH/c1-10-6(7)5-4-8-2-3-9-5;/h2-4,7H,1H3;1H
InChIKey
XILVASLTMBNODA-UHFFFAOYSA-N
Canonic Smiles
COC(=N)c1cnccn1.Cl
Isomeric Smiles
c1cncc(n1)C(=N)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30879834
LogD (pH = 7.4)
-0.2933771
Log P
-0.2931769
Molar Refractivity
46.1384
Polarizability
13.650776
Polar Surface Area
58.86
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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