Molecule

ID:24816

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c11-9(12)3-1-2-8-4-6-10-7-5-8;/h8,10H,1-7H2,(H,11,12);1H
InChIKey
UTPNREIRALGKPW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(O)CCCC1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
4.6652465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5619211
LogD (pH = 7.4)
-1.514358
Log P
-1.515165
Molar Refractivity
46.8524
Polarizability
18.621471
Polar Surface Area
49.33
Rotatable Bonds
4
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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