Molecule

ID:47778

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂
Molecular Mass
210.27436
Exact Mass
210.11569846
Charge
0
InChI
InChI=1S/C14H14N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKey
NIAZCPBPDHIJEX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(CC1)cccc2)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6254537
LogD (pH = 7.4)
2.8441577
Log P
2.8478103
Molar Refractivity
67.4509
Polarizability
25.111698
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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