Molecule

ID:24101

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-8-3-2-5-10(7-8)6-4-9(11)12;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKey
TYIGNAOGXADSJL-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)CCC(=O)O.Cl
Isomeric Smiles
N1(CCC(=O)O)CC(CCC1)C.Cl
Calculated Properties
JChem
Acid pKa
3.9901817
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.620653
LogD (pH = 7.4)
-1.6104206
Log P
-1.6102778
Molar Refractivity
47.3857
Polarizability
18.621471
Polar Surface Area
40.54
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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