Molecule

ID:36161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-2-12-6-8(7-13)9-4-3-5-11-10(9)12/h3-7H,2H2,1H3
InChIKey
NROJKEJQAXVVFB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccn2)CC
Isomeric Smiles
n1(c2c(c(c1)C=O)cccn2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5093566
LogD (pH = 7.4)
1.514715
Log P
1.5147839
Molar Refractivity
51.1695
Polarizability
19.47856
Polar Surface Area
34.89
Rotatable Bonds
2
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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