Molecule

ID:131066

General Information
Structure
MolImage
Molecular Formula
C₄H₁₃ClNO₂P
Molecular Mass
173.578281
Exact Mass
173.03724297
Charge
0
InChI
InChI=1S/C4H12NO2P.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3,(H,6,7);1H
InChIKey
ZZZRGSSRFFRTIE-UHFFFAOYSA-N
Canonic Smiles
NCCCP(=O)(O)C.Cl
Isomeric Smiles
CP(=O)(CCCN)O.Cl
Calculated Properties
JChem
Acid pKa
1.9878153
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1173143
LogD (pH = 7.4)
-3.117776
Log P
-3.11724
Molar Refractivity
33.8311
Polarizability
13.400271
Polar Surface Area
63.32
Rotatable Bonds
3
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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