Molecule

ID:70335

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀IN
Molecular Mass
259.08687
Exact Mass
258.98579733
Charge
0
InChI
InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey
BIHPYCDDPGNWQO-UHFFFAOYSA-N
Canonic Smiles
NC1Cc2c(C1)cc(cc2)I
Isomeric Smiles
C1C(Cc2cc(ccc12)I)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.60041255
LogD (pH = 7.4)
-0.0089690685
Log P
2.4162755
Molar Refractivity
55.6287
Polarizability
21.557499
Polar Surface Area
26.02
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