Molecule

ID:118109

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃
Molecular Mass
145.59012
Exact Mass
145.04067495
Charge
0
InChI
InChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChIKey
HYMUJSKLHIXUOM-UHFFFAOYSA-N
Canonic Smiles
NCCn1cc(cn1)Cl
Isomeric Smiles
n1n(cc(c1)Cl)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7919805
LogD (pH = 7.4)
-1.9657192
Log P
0.20816675
Molar Refractivity
47.716
Polarizability
14.195258
Polar Surface Area
43.84
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
References
Bioactivity
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