Molecule

ID:13380

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N
Molecular Mass
159.22762
Exact Mass
159.10479942
Charge
0
InChI
InChI=1S/C11H13N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h1,4-8,10,12H,9H2,2H3
InChIKey
UKYMPSBRJNWAAY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCC#C
Isomeric Smiles
c1cccc(c1)C(NCC#C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.71269697
LogD (pH = 7.4)
0.9134941
Log P
2.1762526
Molar Refractivity
51.305
Polarizability
20.026281
Polar Surface Area
12.03
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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