Molecule

ID:20041

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChIKey
XQVCBOLNTSUFGD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)N
Isomeric Smiles
c1(cc(N)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5667607
LogD (pH = 7.4)
1.5903835
Log P
1.5906932
Molar Refractivity
42.0264
Polarizability
15.883634
Polar Surface Area
35.25
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
References
Bioactivity
Navigation