Molecule

ID:47771

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂
Molecular Mass
192.3006
Exact Mass
192.16264865
Charge
0
InChI
InChI=1S/C12H20N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
UOWYGPTYSRURDP-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ccc(cc1)N)CCC
Isomeric Smiles
c1(N(CCC)CCC)ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.76263785
LogD (pH = 7.4)
2.4504418
Log P
3.0110245
Molar Refractivity
63.7322
Polarizability
23.689026
Polar Surface Area
29.26
Rotatable Bonds
5
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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