Molecule

ID:74014

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₄O
Molecular Mass
250.2554
Exact Mass
250.08546096
Charge
0
InChI
InChI=1S/C14H10N4O/c1-2-4-9(5-3-1)13-8-10-11(15-16-13)6-7-12-14(10)18-19-17-12/h1-5,8H,6-7H2
InChIKey
OYSHBJLBHAYFAK-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nnc2c(c1)c1nonc1CC2
Isomeric Smiles
n1c2c(no1)CCc1nnc(cc21)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7417201
LogD (pH = 7.4)
1.7417486
Log P
1.7417489
Molar Refractivity
71.096
Polarizability
28.388817
Polar Surface Area
64.7
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
No Data Available
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Molecule Details
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References
Bioactivity
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