Molecule

ID:78018

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,8H2,1H3
InChIKey
FLROJJGKUKLCAE-UHFFFAOYSA-N
Canonic Smiles
Cc1c(N)cccc1O
Isomeric Smiles
Oc1c(c(ccc1)N)C
Calculated Properties
JChem
Acid pKa
10.161165
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3414562
LogD (pH = 7.4)
1.3532645
Log P
1.3541759
Molar Refractivity
37.7805
Polarizability
13.836519
Polar Surface Area
46.25
Rotatable Bonds
0
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
References
Bioactivity
Navigation