Molecule

ID:55110

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-8(9(11)12)10-6-4-2-3-5-7-10;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKey
GROYAMNQYOLMTI-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)N1CCCCCC1.Cl
Isomeric Smiles
C1CN(CCCC1)C(C(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
2.002695
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1989626
LogD (pH = 7.4)
-1.1989765
Log P
-1.1988876
Molar Refractivity
47.3096
Polarizability
18.621471
Polar Surface Area
40.54
Rotatable Bonds
2
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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