Molecule

ID:46583

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12-5-6-15(10-13(12)2)17-9-7-14-4-3-8-16-11-14;/h5-6,10,14,16H,3-4,7-9,11H2,1-2H3;1H
InChIKey
ZAFHRDBBRNGCHA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OCCC1CNCCC1)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15702277
LogD (pH = 7.4)
0.5330728
Log P
3.391345
Molar Refractivity
72.179
Polarizability
28.249304
Polar Surface Area
21.26
Rotatable Bonds
4
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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