Molecule

ID:77687

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂
Molecular Mass
216.322
Exact Mass
216.16264865
Charge
0
InChI
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-13-11-16-8-4-7-14(16)10-15-13/h1-3,5-6,13-15H,4,7-11H2/t13-,14-/m1/s1
InChIKey
FMZYVYGAYTZOHQ-ZIAGYGMSSA-N
Canonic Smiles
c1ccc(cc1)C[C@H]1NC[C@@H]2N(C1)CCC2
Isomeric Smiles
N12CCC[C@@H]1CN[C@@H](C2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5827903
LogD (pH = 7.4)
-0.68250847
Log P
2.192707
Molar Refractivity
66.9925
Polarizability
26.626148
Polar Surface Area
15.27
Rotatable Bonds
2
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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