Molecule

ID:13838

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey
CPVSLHQIPGTMLH-UHFFFAOYSA-N
Canonic Smiles
NCCc1c(C)[nH]c2c1cccc2
Isomeric Smiles
[nH]1c(c(c2c1cccc2)CCN)C
Calculated Properties
JChem
Acid pKa
17.285955
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.3212371
LogD (pH = 7.4)
-0.5795234
Log P
1.6859988
Molar Refractivity
55.5226
Polarizability
22.53342
Polar Surface Area
41.81
Rotatable Bonds
2
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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