Molecule

ID:51641

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈INO
Molecular Mass
343.20329
Exact Mass
343.0433122
Charge
0
InChI
InChI=1S/C14H18INO/c1-14(2,3)13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKey
BVROOMXXHRQAEL-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)CCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(ccc2c(c1)CCCN2C(=O)C(C)(C)C)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2879605
LogD (pH = 7.4)
4.2879605
Log P
4.2879605
Molar Refractivity
79.0124
Polarizability
30.572023
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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