Molecule

ID:127843

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈IN
Molecular Mass
303.18249
Exact Mass
303.04839758
Charge
0
InChI
InChI=1S/C12H18IN/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3
InChIKey
ISEHJSHTIVKELA-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)I)NC(C)C
Isomeric Smiles
CC(C)NC(C)Cc1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7077724
LogD (pH = 7.4)
1.1694652
Log P
3.9391584
Molar Refractivity
71.0097
Polarizability
27.80168
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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