Molecule

ID:43120

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O
Molecular Mass
202.2126
Exact Mass
202.08546096
Charge
0
InChI
InChI=1S/C10H10N4O/c11-6-3-7-14(12)10-13-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,7,12H2
InChIKey
BTWPJQHMHFDOPH-UHFFFAOYSA-N
Canonic Smiles
N#CCCN(c1nc2c(o1)cccc2)N
Isomeric Smiles
c1cccc2c1nc(o2)N(CCC#N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.215483
LogD (pH = 7.4)
1.2156174
Log P
1.2156191
Molar Refractivity
65.4717
Polarizability
21.746225
Polar Surface Area
79.08
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
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Molecule Details
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References
Bioactivity
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