Molecule

ID:45339

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-7(10)9-5-2-3-8-4-6-9;/h8H,2-6H2,1H3;1H
InChIKey
OMROXHFOTOCDAS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCNCCC1.Cl
Isomeric Smiles
N1(C(=O)C)CCCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9381015
LogD (pH = 7.4)
-2.3054047
Log P
-1.0589048
Molar Refractivity
39.8801
Polarizability
15.631624
Polar Surface Area
32.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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