Molecule

ID:24807

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H11ClN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,5-6,10H2
InChIKey
FFWHGUZSQPOQRL-UHFFFAOYSA-N
Canonic Smiles
NCCNc1ccc(cc1)Cl
Isomeric Smiles
c1(NCCN)ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7459913
LogD (pH = 7.4)
-0.9043248
Log P
1.2530848
Molar Refractivity
49.0064
Polarizability
18.52554
Polar Surface Area
38.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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