Molecule

ID:15909

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16;/h2-9H,10-11,16H2,1H3;1H
InChIKey
MVYCFIGLPRFYOC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CCc1ccccc1N.Cl
Isomeric Smiles
c1ccc(c(c1)CCc1ccc(cc1)C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.168846
LogD (pH = 7.4)
4.1937766
Log P
4.1941037
Molar Refractivity
70.1378
Polarizability
26.437057
Polar Surface Area
26.02
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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