Molecule

ID:29091

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅Cl₂N
Molecular Mass
316.2244
Exact Mass
315.05815485
Charge
0
InChI
InChI=1S/C18H15Cl2N/c19-16-9-4-10-17(18(16)20)21-12-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,21H,11-12H2
InChIKey
OVGKIHJMDYUVSD-UHFFFAOYSA-N
Canonic Smiles
Clc1c(NCCc2cccc3c2cccc3)cccc1Cl
Isomeric Smiles
c1(c(NCCc2c3c(ccc2)cccc3)cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
19.214916
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.6538234
LogD (pH = 7.4)
5.6566877
Log P
5.6567245
Molar Refractivity
91.6792
Polarizability
35.956566
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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