Molecule

ID:28899

General Information
Structure
Molecular Formula
C₁₄H₁₃Cl₂N
Molecular Mass
266.16572
Exact Mass
265.04250478
Charge
0
InChI
InChI=1S/C14H13Cl2N/c15-13-7-6-12(10-14(13)16)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKey
YXOKAPHZZGBHFT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)NCCc1ccccc1
Isomeric Smiles
c1(cc(NCCc2ccccc2)ccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.647304
LogD (pH = 7.4)
4.6669908
Log P
4.667248
Molar Refractivity
75.229
Polarizability
28.413162
Polar Surface Area
12.03
Rotatable Bonds
4
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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