Molecule

ID:29103

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClN
Molecular Mass
245.74724
Exact Mass
245.0971272
Charge
0
InChI
InChI=1S/C15H16ClN/c1-11-5-3-8-15(12(11)2)17-10-13-6-4-7-14(16)9-13/h3-9,17H,10H2,1-2H3
InChIKey
MDTHIPUFQRDMCJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)CNc1cccc(c1C)C
Isomeric Smiles
c1(c(NCc2cc(Cl)ccc2)cccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7890267
LogD (pH = 7.4)
4.8012266
Log P
4.8013844
Molar Refractivity
75.7516
Polarizability
28.308338
Polar Surface Area
12.03
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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