Molecule

ID:32529

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c1-5-6(8)3-9-4-7(5)10-2;/h3-4H,8H2,1-2H3;1H
InChIKey
UKNQLPGBPHSPAH-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1C)N.Cl
Isomeric Smiles
c1(cncc(c1C)N)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3402882
LogD (pH = 7.4)
0.25577116
Log P
0.28239757
Molar Refractivity
40.1059
Polarizability
14.854081
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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