Molecule

ID:128155

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
InChIKey
BIXJFIJYBLJTMK-MEBBXXQBSA-N
Canonic Smiles
OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3
Isomeric Smiles
OC[C@@H]1C=C2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.76
LogD (pH = 5.5)
-1.01
Log P
1.52
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.08
Polar Surface Area
39.26
Polarizability
29.22
Molar Refractivity
77.84
LOG S
-2.21
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation