Molecule

ID:89321

General Information
Structure
Molecular Formula
C₅H₈ClN₃
Molecular Mass
145.59012
Exact Mass
145.04067495
Charge
0
InChI
InChI=1S/C5H7N3.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H,4,6H2;1H
InChIKey
RZNKMZKAXJTLQR-UHFFFAOYSA-N
Canonic Smiles
NCc1ncccn1.Cl
Isomeric Smiles
n1c(nccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5295417
LogD (pH = 7.4)
-0.83975744
Log P
-0.3547704
Molar Refractivity
30.7064
Polarizability
11.901853
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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