Molecule
ID:36010
General Information
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,11H2,1H3
InChIKey
ZHQZMSFQHYXWBW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1N)cccc2
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.220169
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8165599
LogD (pH = 7.4)
1.8165599
Log P
1.8165599
Molar Refractivity
53.7477
Polarizability
21.099482
Polar Surface Area
68.11
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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