Molecule

ID:15134

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-2-7-13-10(4-1)11-5-3-6-12-14(11)16(13)9-8-15-12/h1-2,4,7,12,15H,3,5-6,8-9H2
InChIKey
FPJQYYCGLQSBMU-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)n1CCNC3c1c2CCC3
Isomeric Smiles
c12c3c4c(n1CCNC2CCC3)cccc4
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.30394
LogD (pH = 7.4)
1.3178838
Log P
2.5913017
Molar Refractivity
65.3795
Polarizability
26.57232
Polar Surface Area
16.96
Rotatable Bonds
0
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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