Molecule

ID:55415

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₂O
Molecular Mass
174.62804
Exact Mass
174.05599066
Charge
0
InChI
InChI=1S/C7H10N2O.ClH/c8-4-6-3-7(10-9-6)5-1-2-5;/h3,5H,1-2,4,8H2;1H
InChIKey
KESPLEVQOQAPRT-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)C1CC1.Cl
Isomeric Smiles
c1(cc(no1)CN)C1CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.31595
LogD (pH = 7.4)
-0.6312419
Log P
0.16836219
Molar Refractivity
37.7943
Polarizability
14.402823
Polar Surface Area
52.05
Rotatable Bonds
2
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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