Molecule

ID:30327

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClNO
Molecular Mass
251.75182
Exact Mass
251.10769188
Charge
0
InChI
InChI=1S/C14H18ClNO/c15-9-14(17)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-9H2
InChIKey
KZWUBJIBDIIBGF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)n1c2CCCCc2c2c1CCCC2
Isomeric Smiles
n1(c2c(c3c1CCCC3)CCCC2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.969335
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3429785
LogD (pH = 7.4)
3.3429785
Log P
3.3429785
Molar Refractivity
69.8677
Polarizability
26.552668
Polar Surface Area
22.0
Rotatable Bonds
1
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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