Molecule

ID:15917

General Information
Structure
Molecular Formula
C₁₃H₁₆Cl₂N₂
Molecular Mass
271.18554
Exact Mass
270.06905388
Charge
0
InChI
InChI=1S/C13H14N2.2ClH/c14-13-7-5-11(6-8-13)3-4-12-2-1-9-15-10-12;;/h1-2,5-10H,3-4,14H2;2*1H
InChIKey
WGXJGGWVNBBWKC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1cccnc1.Cl.Cl
Isomeric Smiles
c1ncc(cc1)CCc1ccc(cc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1361926
LogD (pH = 7.4)
2.4569666
Log P
2.46301
Molar Refractivity
62.9397
Polarizability
23.726559
Polar Surface Area
38.91
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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