Molecule

ID:13375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-13/h1-3,5-6,12H,4,7-10H2
InChIKey
KOSJUMIQLLFOIG-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CN1)Cc1ccccc1
Isomeric Smiles
C1CNCN(C1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8171807
LogD (pH = 7.4)
1.0291752
Log P
1.548775
Molar Refractivity
55.031
Polarizability
21.90634
Polar Surface Area
15.27
Rotatable Bonds
2
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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