Molecule

ID:48342

General Information
Structure
Molecular Formula
C₈H₁₀ClN₃
Molecular Mass
183.6381
Exact Mass
183.05632502
Charge
0
InChI
InChI=1S/C8H10ClN3/c9-7-5-8(11-6-10-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKey
DJVYVHPCLCIYDY-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)N1CCCC1
Isomeric Smiles
c1(cc(ncn1)Cl)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9812989
LogD (pH = 7.4)
1.9822441
Log P
1.9822562
Molar Refractivity
50.8715
Polarizability
18.27408
Polar Surface Area
29.02
Rotatable Bonds
1
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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