Molecule

ID:86829

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₂N₂
Molecular Mass
321.24422
Exact Mass
320.08470395
Charge
0
InChI
InChI=1S/C17H17ClN2.ClH/c18-12-6-7-13-20-16-11-5-4-10-15(16)19-17(20)14-8-2-1-3-9-14;/h1-5,8-11H,6-7,12-13H2;1H
InChIKey
QGBKUMVNIHHFEE-UHFFFAOYSA-N
Canonic Smiles
ClCCCCn1c(nc2c1cccc2)c1ccccc1.Cl
Isomeric Smiles
n1c(c2ccccc2)n(c2ccccc12)CCCCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6352253
LogD (pH = 7.4)
4.7480965
Log P
4.7497625
Molar Refractivity
93.8201
Polarizability
34.077435
Polar Surface Area
17.82
Rotatable Bonds
5
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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