Molecule

ID:28983

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN
Molecular Mass
245.74724
Exact Mass
245.0971272
Charge
0
InChI
InChI=1S/C15H16ClN/c1-12-2-8-15(9-3-12)17-11-10-13-4-6-14(16)7-5-13/h2-9,17H,10-11H2,1H3
InChIKey
XSCKVULEQJONOE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NCCc1ccc(cc1)Cl
Isomeric Smiles
N(c1ccc(cc1)C)CCc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.365904
LogD (pH = 7.4)
4.5732174
Log P
4.5766244
Molar Refractivity
75.4654
Polarizability
28.30769
Polar Surface Area
12.03
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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