Molecule

ID:29506

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅Cl₂N
Molecular Mass
280.1923
Exact Mass
279.05815485
Charge
0
InChI
InChI=1S/C15H15Cl2N/c1-10-3-6-14(7-11(10)2)18-9-12-4-5-13(16)8-15(12)17/h3-8,18H,9H2,1-2H3
InChIKey
QCMMVVRDKNPIKY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CNc1ccc(c(c1)C)C
Isomeric Smiles
c1(c(CNc2cc(c(cc2)C)C)ccc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.372222
LogD (pH = 7.4)
5.404995
Log P
5.4054294
Molar Refractivity
80.5564
Polarizability
30.159168
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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