Molecule

ID:1711

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
InChIKey
LZAXPYOBKSJSEX-GOSISDBHSA-N
Canonic Smiles
Cc1ccc2c(c1)C(=O)[C@]1(C(=N2)N(CC1)c1ccccc1)O
Isomeric Smiles
O=C1c2cc(C)ccc2N=C2[C@@]1(O)CCN2c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.88
LogD (pH = 5.5)
2.88
Log P
2.88
Rotatable Bonds
1
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
11.54
Polar Surface Area
52.90
Polarizability
31.82
Molar Refractivity
87.25
LOG S
-5.23
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