Molecule

ID:47682

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
AWUZKEGYCANZSN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9787209
LogD (pH = 7.4)
2.1685343
Log P
2.1715825
Molar Refractivity
57.7692
Polarizability
21.024534
Polar Surface Area
29.26
Rotatable Bonds
1
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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