Molecule
ID:102012
General Information
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c10-7-3-4-9-6-2-1-5-11-8(6)7/h3-4H,1-2,5H2,(H,9,10)
InChIKey
JFVUNBXCJHTYQU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc2c1OCCC2
Isomeric Smiles
c1cc(c2c(n1)CCCO2)O
Calculated Properties
JChem
Acid pKa
10.719905
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.64777124
LogD (pH = 7.4)
0.65243137
Log P
0.65270996
Molar Refractivity
39.832
Polarizability
15.445927
Polar Surface Area
42.35
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...