Molecule

ID:76324

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₃N₂
Molecular Mass
269.5985
Exact Mass
268.03008153
Charge
0
InChI
InChI=1S/C10H13ClN2.2ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;;/h1-4,10,12-13H,5-7H2;2*1H
InChIKey
FKKKAACZISPRMO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1NCCNC1.Cl.Cl
Isomeric Smiles
N1C(c2ccc(cc2)Cl)CNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4318666
LogD (pH = 7.4)
0.06683891
Log P
1.6594781
Molar Refractivity
54.5364
Polarizability
21.875025
Polar Surface Area
24.06
Rotatable Bonds
1
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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