Molecule

ID:36224

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₇NO
Molecular Mass
299.36578
Exact Mass
299.13101417
Charge
0
InChI
InChI=1S/C21H17NO/c22-20-13-11-19(12-14-20)21(23)15-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-15H,22H2/b15-8+
InChIKey
XYOWXAVBJRMQHW-OVCLIPMQSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=C\c1ccc(c2ccccc2)cc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.384922
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7068024
LogD (pH = 7.4)
4.708602
Log P
4.708625
Molar Refractivity
96.7136
Polarizability
37.58086
Polar Surface Area
43.09
Rotatable Bonds
4
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