Molecule

ID:38144

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₅O
Molecular Mass
227.6509
Exact Mass
227.05738765
Charge
0
InChI
InChI=1S/C8H9N5O.ClH/c9-2-1-7-12-8(13-14-7)6-5-10-3-4-11-6;/h3-5H,1-2,9H2;1H
InChIKey
GZCZLIHJFNPESX-UHFFFAOYSA-N
Canonic Smiles
NCCc1onc(n1)c1cnccn1.Cl
Isomeric Smiles
o1c(CCN)nc(n1)c1nccnc1.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.523606
LogD (pH = 7.4)
-2.198869
Log P
-0.4421547
Molar Refractivity
59.8992
Polarizability
19.100721
Polar Surface Area
90.72
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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