Molecule

ID:77819

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂
Molecular Mass
252.3541
Exact Mass
252.16264865
Charge
0
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
FELMQTQLBFMOHQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCNCC1c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)CNCC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06700386
LogD (pH = 7.4)
1.4393461
Log P
3.1629543
Molar Refractivity
79.6389
Polarizability
31.546366
Polar Surface Area
15.27
Rotatable Bonds
3
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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