Molecule

ID:29217

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN
Molecular Mass
245.74724
Exact Mass
245.0971272
Charge
0
InChI
InChI=1S/C15H16ClN/c1-12-7-8-14(16)11-15(12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKey
DVCBIDNEGLATHO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)NCCc1ccccc1)C
Isomeric Smiles
c1(cc(ccc1C)Cl)NCCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.551785
LogD (pH = 7.4)
4.5763025
Log P
4.5766244
Molar Refractivity
75.4654
Polarizability
28.309097
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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