Molecule

ID:40123

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-8-9-3-1-4-10(7-9)15-11-12-5-2-6-13-11/h1-7,14H,8H2
InChIKey
CHGNNFYTJABKLC-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)Oc1ncccn1
Isomeric Smiles
c1(ncccn1)Oc1cc(CO)ccc1
Calculated Properties
JChem
Acid pKa
14.884054
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4614576
LogD (pH = 7.4)
1.4614589
Log P
1.4614589
Molar Refractivity
55.725
Polarizability
21.32979
Polar Surface Area
55.24
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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