Molecule

ID:126234

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
InChIKey
WKNFADCGOAHBPG-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
Isomeric Smiles
Oc1ccc2c(c(c[nH]2)C2CCN(C)CC2)c1
Calculated Properties
JChem
Acid pKa
9.735363
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0200002
LogD (pH = 7.4)
0.48397896
Log P
1.7475843
Molar Refractivity
69.8411
Polarizability
27.94752
Polar Surface Area
39.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
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