Molecule

ID:64691

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N₃
Molecular Mass
204.05658
Exact Mass
203.0017026
Charge
0
InChI
InChI=1S/C7H7Cl2N3/c8-6-4-1-2-10-3-5(4)11-7(9)12-6/h10H,1-3H2
InChIKey
IPSIICUFLIHDCA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CNCCc2c(n1)Cl
Isomeric Smiles
n1c(nc2c(c1Cl)CCNC2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.63039935
LogD (pH = 7.4)
1.0371753
Log P
1.4622169
Molar Refractivity
50.1224
Polarizability
18.797894
Polar Surface Area
37.81
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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