Molecule

ID:15907

General Information
Structure
Molecular Formula
C₁₄H₁₅Cl₂N
Molecular Mass
268.1816
Exact Mass
267.05815485
Charge
0
InChI
InChI=1S/C14H14ClN.ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;/h3-10H,1-2,16H2;1H
InChIKey
SPJIOJFJZDRGRS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1ccc(cc1)Cl.Cl
Isomeric Smiles
c1c(ccc(c1)CCc1ccc(cc1)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.222134
LogD (pH = 7.4)
4.2838798
Log P
4.284727
Molar Refractivity
69.9014
Polarizability
26.462215
Polar Surface Area
26.02
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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