Molecule

ID:64914

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H10N2.ClH/c1-2-7-6-9-5-3-8(7)10-4-1;/h1-2,4,9H,3,5-6H2;1H
InChIKey
VYSZQJUFJGTSCJ-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)nccc2.Cl
Isomeric Smiles
n1c2c(ccc1)CNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.60441
LogD (pH = 7.4)
-1.0604682
Log P
0.38363415
Molar Refractivity
39.8809
Polarizability
15.677948
Polar Surface Area
24.92
Rotatable Bonds
0
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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