Molecule

ID:25499

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₂
Molecular Mass
277.3172
Exact Mass
277.11027873
Charge
0
InChI
InChI=1S/C18H15NO2/c1-11-8-9-15-14(10-11)16(18(20)21)12(2)17(19-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChIKey
OKDJCOLKKGLQPF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccccc1)C
Isomeric Smiles
n1c(c(c(c2c1ccc(c2)C)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4368732
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7497077
LogD (pH = 7.4)
1.4426712
Log P
4.6482506
Molar Refractivity
82.0821
Polarizability
33.847916
Polar Surface Area
50.19
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