Molecule

ID:85608

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₃NO
Molecular Mass
290.5729
Exact Mass
288.98279699
Charge
0
InChI
InChI=1S/C12H9Cl2NO.ClH/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15;/h1-7H,15H2;1H
InChIKey
VPOKWNPEXKYIPO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)Oc1ccccc1N.Cl
Isomeric Smiles
O(c1ccc(cc1Cl)Cl)c1ccccc1N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8520887
LogD (pH = 7.4)
3.8526888
Log P
3.8526964
Molar Refractivity
66.6088
Polarizability
25.557575
Polar Surface Area
35.25
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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