Molecule

ID:29218

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN
Molecular Mass
237.7683
Exact Mass
237.12842733
Charge
0
InChI
InChI=1S/C14H20ClN/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKey
YCEZLKCXRCOKRR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1NCC1CCCCC1)Cl
Isomeric Smiles
c1(NCC2CCCCC2)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.625779
LogD (pH = 7.4)
4.6770782
Log P
4.6777735
Molar Refractivity
71.8428
Polarizability
27.25778
Polar Surface Area
12.03
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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