Molecule

ID:103548

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂Cl₂N₂
Molecular Mass
313.26528
Exact Mass
312.11600407
Charge
0
InChI
InChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H
InChIKey
NYNRGZULARUZCC-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N.Cl.Cl
Isomeric Smiles
Cl.Cl.Cc1cc(cc(C)c1N)c1cc(C)c(N)c(C)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.980853
LogD (pH = 7.4)
4.015844
Log P
4.016305
Molar Refractivity
80.7598
Polarizability
30.724943
Polar Surface Area
52.04
Rotatable Bonds
1
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
References
Bioactivity
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