Molecule
ID:25419
General Information
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-8-12(2)17-14(9-11)15(18(20)21)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChIKey
VSTKTJKCVFHQOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccccc1)C(=O)O
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.6029034
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.944087
LogD (pH = 7.4)
1.5021954
Log P
4.848402
Molar Refractivity
82.0821
Polarizability
33.848713
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...