Molecule

ID:34025

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey
JTEJPPKMYBDEMY-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cc(OC)cc2
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OC)CCN
Calculated Properties
JChem
LogD (pH = 7.4)
-1.07
LogD (pH = 5.5)
-1.69
Log P
1.33
Rotatable Bonds
3
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.91
Polar Surface Area
51.04
Polarizability
21.31
Molar Refractivity
56.84
LOG S
-1.95
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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