Molecule

ID:89017

General Information
Structure
Molecular Formula
C₈H₁₀N₄
Molecular Mass
162.1918
Exact Mass
162.09054634
Charge
0
InChI
InChI=1S/C8H10N4/c9-7-2-1-6(5-12-7)8-10-3-4-11-8/h1-2,5H,3-4H2,(H2,9,12)(H,10,11)
InChIKey
OQNXJRHACUNVJJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)C1=NCCN1
Isomeric Smiles
N1=C(c2cnc(cc2)N)NCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6286132
LogD (pH = 7.4)
-2.0567002
Log P
-0.22866604
Molar Refractivity
47.8749
Polarizability
17.218334
Polar Surface Area
63.3
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
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References
Bioactivity
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