Molecule

ID:20096

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃Cl₂NO
Molecular Mass
306.18652
Exact Mass
305.0374194
Charge
0
InChI
InChI=1S/C16H12ClNO.ClH/c17-14-10-12(18)8-9-16(14)19-15-7-3-5-11-4-1-2-6-13(11)15;/h1-10H,18H2;1H
InChIKey
UDVHEMZGYFOOIY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1cccc2c1cccc2.Cl
Isomeric Smiles
O(c1c2c(ccc1)cccc2)c1c(cc(N)cc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.230756
LogD (pH = 7.4)
4.2380347
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.224619
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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