Molecule

ID:43863

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-3-7-5(8)4-6-2;/h6H,3-4H2,1-2H3,(H,7,8);1H
InChIKey
GINYLHBWCLZCPN-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NCC.Cl
Isomeric Smiles
C(=O)(NCC)CNC.Cl
Calculated Properties
JChem
Acid pKa
16.13374
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.912543
LogD (pH = 7.4)
-2.3560941
Log P
-0.94135374
Molar Refractivity
32.2455
Polarizability
12.678941
Polar Surface Area
41.13
Rotatable Bonds
3
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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