Molecule

ID:74586

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆INO₃
Molecular Mass
373.18621
Exact Mass
373.01749138
Charge
0
InChI
InChI=1S/C14H16INO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)
InChIKey
YNZREWFCOGDFND-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1C(=O)O)Nc1ccc(cc1)I
Isomeric Smiles
N(c1ccc(cc1)I)C(=O)C1C(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
3.544012
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5268235
LogD (pH = 7.4)
0.11437879
Log P
3.4761474
Molar Refractivity
81.7256
Polarizability
31.259077
Polar Surface Area
66.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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