Molecule

ID:27596

General Information
Structure
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2
InChIKey
PYJJKIOYUUDDDM-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc2c(c1)CCC2
Isomeric Smiles
C(=Nc1cc2c(cc1)CCC2)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.890487
LogD (pH = 7.4)
2.890487
Log P
2.890487
Molar Refractivity
48.0112
Polarizability
17.271338
Polar Surface Area
29.43
Rotatable Bonds
1
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