Molecule
ID:122035
General Information
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-8-3-4-12-13(5-8)19-15(17-12)11-7-10(16)6-9(2)14(11)18/h3-7,18H,16H2,1-2H3
InChIKey
GXVKFQPECNZSJQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(C)c(c(c1)c1oc2c(n1)ccc(c2)C)O
Isomeric Smiles
c1(c2c(c(cc(c2)N)C)O)nc2c(o1)cc(cc2)C
Calculated Properties
JChem
Acid pKa
9.23519
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1663046
LogD (pH = 7.4)
3.231413
Log P
3.2389872
Molar Refractivity
84.5884
Polarizability
29.399675
Polar Surface Area
72.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...