Molecule

ID:127810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₅
Molecular Mass
215.25442
Exact Mass
215.11709544
Charge
0
InChI
InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey
PNHJTLDBYZVCGW-UHFFFAOYSA-N
Canonic Smiles
Cn1nc2c(c1)c(ccc2)NC1=NCCN1
Isomeric Smiles
Cn1cc2c(cccc2NC2=NCCN2)n1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.303744
LogD (pH = 7.4)
-0.49916774
Log P
1.0801865
Molar Refractivity
74.4608
Polarizability
24.198084
Polar Surface Area
54.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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