Molecule

ID:64690

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂N₃
Molecular Mass
294.17912
Exact Mass
293.04865279
Charge
0
InChI
InChI=1S/C14H13Cl2N3/c15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13/h1-5H,6-9H2
InChIKey
CTNDGYOJDNSZMQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CN(CCc2c(n1)Cl)Cc1ccccc1
Isomeric Smiles
n1c(nc2c(c1Cl)CCN(C2)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9066216
LogD (pH = 7.4)
3.3724413
Log P
3.569738
Molar Refractivity
80.0297
Polarizability
30.15476
Polar Surface Area
29.02
Rotatable Bonds
2
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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