Molecule

ID:120496

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H21ClN2O/c1-12-8-4-5-9-13(12)17-14(18)16-11-7-3-2-6-10-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,16,17,18)
InChIKey
AIYCNWDPNSFEMK-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCNC(=O)Nc1ccccc1C
Isomeric Smiles
C(=O)(Nc1c(C)cccc1)NCCCCCCCl
Calculated Properties
JChem
Acid pKa
13.781143
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.7454576
LogD (pH = 7.4)
3.7454574
Log P
3.7454576
Molar Refractivity
77.5909
Polarizability
29.13183
Polar Surface Area
41.13
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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