Molecule

ID:55724

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h7-8H,2-6,10H2,1H3;1H
InChIKey
PZPSRTWFJCGJLP-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)C(=O)OC.Cl
Isomeric Smiles
C(=O)(C1CCC(CC1)CN)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.166826
LogD (pH = 7.4)
-1.7559041
Log P
0.85746294
Molar Refractivity
46.6728
Polarizability
18.871552
Polar Surface Area
52.32
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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