Molecule

ID:19544

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO
Molecular Mass
261.3178
Exact Mass
261.11536411
Charge
0
InChI
InChI=1S/C18H15NO/c19-17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,19H2
InChIKey
PGNWDUBIRDLVFT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(Oc2ccc(c3ccccc3)cc2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2899914
LogD (pH = 7.4)
4.291809
Log P
4.2918324
Molar Refractivity
82.1354
Polarizability
32.889942
Polar Surface Area
35.25
Rotatable Bonds
3
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