Molecule

ID:103576

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClN₂O
Molecular Mass
152.62252
Exact Mass
152.07164073
Charge
0
InChI
InChI=1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H/t4-;/m0./s1
InChIKey
XFCNYSGKNAWXFL-WCCKRBBISA-N
Canonic Smiles
N[C@H](C(=O)N)C(C)C.Cl
Isomeric Smiles
Cl.CC(C)[C@H](N)C(=O)N
Calculated Properties
JChem
Acid pKa
16.633099
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2248063
LogD (pH = 7.4)
-1.6460075
Log P
-0.4981587
Molar Refractivity
31.3151
Polarizability
12.678941
Polar Surface Area
69.11
Rotatable Bonds
2
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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