Molecule

ID:38159

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c9-7(10)3-5-8-4-1-2-6-11-8;/h1-6H2,(H,9,10);1H
InChIKey
YMERARDWQYIUPU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCCCO1.Cl
Isomeric Smiles
C1CN(OCC1)CCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.5563865
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0813689
LogD (pH = 7.4)
-2.8520987
Log P
-0.075972
Molar Refractivity
39.2653
Polarizability
15.687127
Polar Surface Area
49.77
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
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Molecule Details
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References
Bioactivity
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