Molecule

ID:35820

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H10N2.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4,9H2;1H
InChIKey
GFJAZFUWYDPDEE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CCN2.Cl
Isomeric Smiles
c12c(cc(N)cc2)CCN1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.4609267
LogD (pH = 7.4)
0.59336364
Log P
0.6569865
Molar Refractivity
44.2618
Polarizability
15.486745
Polar Surface Area
38.05
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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