Molecule

ID:46596

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-2-13-6-5-8-15(12-13)17-11-9-14-7-3-4-10-16-14;/h5-6,8,12,14,16H,2-4,7,9-11H2,1H3;1H
InChIKey
FVPUHFCRFIPTQN-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2cc(ccc2)CC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15371941
LogD (pH = 7.4)
0.74662197
Log P
3.379254
Molar Refractivity
71.5654
Polarizability
28.329033
Polar Surface Area
21.26
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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