Molecule

ID:24768

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
InChIKey
LMHHFZAXSANGGM-UHFFFAOYSA-N
Canonic Smiles
NC1Cc2c(C1)cccc2
Isomeric Smiles
c12c(CC(C1)N)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.530259
LogD (pH = 7.4)
-0.9565448
Log P
1.487331
Molar Refractivity
42.2662
Polarizability
16.53437
Polar Surface Area
26.02
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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