Molecule

ID:51503

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClIN
Molecular Mass
267.49465
Exact Mass
266.93117491
Charge
0
InChI
InChI=1S/C7H7ClIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKey
APOYOBUFTZPTBO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)I)N
Isomeric Smiles
c1(c(c(cc(c1)Cl)C)N)I
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1904073
LogD (pH = 7.4)
3.1907263
Log P
3.1907303
Molar Refractivity
53.9669
Polarizability
20.33362
Polar Surface Area
26.02
Rotatable Bonds
0
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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