Molecule

ID:92833

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄IN
Molecular Mass
287.14003
Exact Mass
287.01709745
Charge
0
InChI
InChI=1S/C11H14IN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKey
RDHZJYCRHTZBIX-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)CN1CCCC1
Isomeric Smiles
N1(CCCC1)Cc1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5578649
LogD (pH = 7.4)
3.0411065
Log P
3.2493846
Molar Refractivity
65.5042
Polarizability
25.338028
Polar Surface Area
3.24
Rotatable Bonds
2
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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