Molecule

ID:21797

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈ClN
Molecular Mass
257.84252
Exact Mass
257.19102758
Charge
0
InChI
InChI=1S/C15H27N.ClH/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;/h7,15-16H,1-6,8-13H2;1H
InChIKey
KIZQNPUDFBOQMY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNCCC1=CCCCC1.Cl
Isomeric Smiles
C1(=CCCCC1)CCNCC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7581107
LogD (pH = 7.4)
0.9657377
Log P
3.9967234
Molar Refractivity
71.7114
Polarizability
28.246042
Polar Surface Area
12.03
Rotatable Bonds
5
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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