Molecule

ID:76217

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN
Molecular Mass
247.76312
Exact Mass
247.11277726
Charge
0
InChI
InChI=1S/C15H17N.ClH/c1-12-7-9-14(10-8-12)15(11-16)13-5-3-2-4-6-13;/h2-10,15H,11,16H2,1H3;1H
InChIKey
ZOULOMMJVBLJAU-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)c1ccc(cc1)C.Cl
Isomeric Smiles
NCC(c1ccc(cc1)C)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.39343974
LogD (pH = 7.4)
1.1456559
Log P
3.3998737
Molar Refractivity
68.8942
Polarizability
26.925415
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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