Molecule

ID:13385

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
SFEAIUCOZWDYMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CN1CCCC1
Isomeric Smiles
N1(Cc2ccc(N)cc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9063457
LogD (pH = 7.4)
-0.644477
Log P
1.4915141
Molar Refractivity
56.8421
Polarizability
21.502024
Polar Surface Area
29.26
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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