Molecule

ID:45567

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-6(10)9-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3,(H,9,10);1H
InChIKey
PWMUODAZHNQADN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)C.Cl
Calculated Properties
JChem
Acid pKa
16.1516
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.383058
LogD (pH = 7.4)
-3.698752
Log P
-1.1628541
Molar Refractivity
39.519
Polarizability
15.631624
Polar Surface Area
41.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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