Molecule

ID:47872

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂
Molecular Mass
202.29542
Exact Mass
202.14699859
Charge
0
InChI
InChI=1S/C13H18N2/c1-4-8-15(9-5-2)12-6-7-13(14)11(3)10-12/h4-7,10H,1-2,8-9,14H2,3H3
InChIKey
FUACMDSATPQBDL-UHFFFAOYSA-N
Canonic Smiles
C=CCN(c1ccc(c(c1)C)N)CC=C
Isomeric Smiles
c1(cc(c(cc1)N)C)N(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7138495
LogD (pH = 7.4)
3.2159264
Log P
3.2282848
Molar Refractivity
68.5536
Polarizability
24.988985
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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