Molecule

ID:10890

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀Cl₂N₂
Molecular Mass
275.2173
Exact Mass
274.10035401
Charge
0
InChI
InChI=1S/C13H18N2.2ClH/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12;;/h3-4,7,11,13-14H,5-6,8H2,1-2H3;2*1H
InChIKey
XWLFAMANDIWUKH-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2C(C1)c1cc(C)ccc1N2.Cl.Cl
Isomeric Smiles
c12C3C(Nc1ccc(c2)C)CCN(C3)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5070604
LogD (pH = 7.4)
0.14157547
Log P
1.6261332
Molar Refractivity
65.1975
Polarizability
24.293802
Polar Surface Area
15.27
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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