Molecule

ID:125435

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-7(12)5-8-6-13-9-3-2-4-10(14)11(8)9/h2-4,6-7,13-14H,5,12H2,1H3
InChIKey
BYMNOLWNRCZVLJ-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1c[nH]c2c1c(O)ccc2)N
Isomeric Smiles
c1ccc2[nH]cc(CC(C)N)c2c1O
Calculated Properties
JChem
Acid pKa
9.094864
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.4051869
LogD (pH = 7.4)
-0.6357772
Log P
0.69696355
Molar Refractivity
56.7726
Polarizability
23.153667
Polar Surface Area
62.04
Rotatable Bonds
2
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
References
Bioactivity
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