Molecule

ID:76215

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄Cl₃N
Molecular Mass
302.62666
Exact Mass
301.01918249
Charge
0
InChI
InChI=1S/C14H13Cl2N.ClH/c15-12-6-11(7-13(16)8-12)14(9-17)10-4-2-1-3-5-10;/h1-8,14H,9,17H2;1H
InChIKey
CREGFWMDIFQDTE-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cc(Cl)cc(c1)Cl)c1ccccc1.Cl
Isomeric Smiles
Clc1cc(cc(c1)Cl)C(c1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0926803
LogD (pH = 7.4)
1.899988
Log P
4.0945415
Molar Refractivity
73.4626
Polarizability
28.7776
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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