Molecule

ID:23409

General Information
Structure
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-4-6-14(17)7-5-13/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
NIJCLVXGKIJXKB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)NC(=O)c1ccc(cc1)N
Isomeric Smiles
N(c1c(cc(cc1C)C)C)C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
13.025714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7752044
LogD (pH = 7.4)
3.7764518
Log P
3.7764688
Molar Refractivity
81.4155
Polarizability
29.381464
Polar Surface Area
55.12
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation