Molecule

ID:87637

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N
Molecular Mass
178.05906
Exact Mass
177.01120465
Charge
0
InChI
InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
InChIKey
NVWGBSLNHJYFHF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Cl.Cl
Isomeric Smiles
Clc1c(cc(cc1)C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2603183
LogD (pH = 7.4)
2.2617674
Log P
2.261786
Molar Refractivity
40.6044
Polarizability
15.092567
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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