Molecule

ID:80474

General Information
Structure
Molecular Formula
C₅H₁₁ClN₂O
Molecular Mass
150.60664
Exact Mass
150.05599066
Charge
0
InChI
InChI=1S/C5H10N2O.ClH/c8-5-1-2-6-3-4-7-5;/h6H,1-4H2,(H,7,8);1H
InChIKey
WOSZTROLFNNEIW-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCNCC1.Cl
Isomeric Smiles
N1C(=O)CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
14.785261
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.782306
LogD (pH = 7.4)
-2.0498073
Log P
-1.2326739
Molar Refractivity
30.2273
Polarizability
11.95924
Polar Surface Area
41.13
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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