Molecule

ID:30908

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O
Molecular Mass
176.64392
Exact Mass
176.07164073
Charge
0
InChI
InChI=1S/C7H12N2O.ClH/c1-2-3-6-4-7(5-8)10-9-6;/h4H,2-3,5,8H2,1H3;1H
InChIKey
REFODIGHPMZEFH-UHFFFAOYSA-N
Canonic Smiles
CCCc1noc(c1)CN.Cl
Isomeric Smiles
n1oc(cc1CCC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5280616
LogD (pH = 7.4)
0.149024
Log P
0.66003543
Molar Refractivity
39.6703
Polarizability
15.121987
Polar Surface Area
52.05
Rotatable Bonds
3
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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