Molecule

ID:79457

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3
InChIKey
GJFNRSDCSTVPCJ-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc2c1c(ccc2)N(C)C)C
Isomeric Smiles
N(c1c2c(ccc1)cccc2N(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9614348
LogD (pH = 7.4)
3.175277
Log P
3.1788104
Molar Refractivity
71.3654
Polarizability
27.593422
Polar Surface Area
6.48
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
No Data Available
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Molecule Details
References
Bioactivity
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