Molecule

ID:10723

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c1-2-9-5-6-11-10(8-9)4-3-7-12-11/h3-8H,2H2,1H3
InChIKey
VDOYSQQOKJDYDR-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)cccn2
Isomeric Smiles
c1(ccc2c(c1)cccn2)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0324237
LogD (pH = 7.4)
3.0881271
Log P
3.0888906
Molar Refractivity
49.6215
Polarizability
20.686771
Polar Surface Area
12.89
Rotatable Bonds
1
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
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References
Bioactivity
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