Molecule

ID:48341

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃
Molecular Mass
157.60082
Exact Mass
157.04067495
Charge
0
InChI
InChI=1S/C6H8ClN3/c1-10(2)6-3-5(7)8-4-9-6/h3-4H,1-2H3
InChIKey
WAGVAZQFCOMORW-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncnc(c1)Cl)C
Isomeric Smiles
c1(cc(ncn1)Cl)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5753497
LogD (pH = 7.4)
1.5764447
Log P
1.5764587
Molar Refractivity
43.3305
Polarizability
15.327949
Polar Surface Area
29.02
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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