Molecule

ID:18988

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
OCVQUKOCFUOCBM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCCC1
Isomeric Smiles
N1(c2ccc(cc2)CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.453002
LogD (pH = 7.4)
-0.55214864
Log P
1.6128556
Molar Refractivity
56.501
Polarizability
21.500244
Polar Surface Area
29.26
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
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Molecule Details
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References
Bioactivity
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