Molecule

ID:32068

General Information
Structure
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-6(10)9-4-2-7(8)3-5-9;/h7H,2-5,8H2,1H3;1H
InChIKey
AWKOGAFRLOPNOP-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)C.Cl
Isomeric Smiles
N1(CCC(CC1)N)C(=O)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.389585
LogD (pH = 7.4)
-3.8206515
Log P
-1.3717583
Molar Refractivity
39.6411
Polarizability
15.631624
Polar Surface Area
46.33
Rotatable Bonds
0
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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