Molecule

ID:13333

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀N₂O
Molecular Mass
290.4436
Exact Mass
290.23581359
Charge
0
InChI
InChI=1S/C18H30N2O/c1-18(2,3)17-7-5-16(6-8-17)15-19-9-4-10-20-11-13-21-14-12-20/h5-8,19H,4,9-15H2,1-3H3
InChIKey
QHOWYYMIZRKELF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNCCCN1CCOCC1)(C)C
Isomeric Smiles
c1c(ccc(c1)CNCCCN1CCOCC1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9716819
LogD (pH = 7.4)
0.4959732
Log P
2.9367547
Molar Refractivity
89.9309
Polarizability
35.399197
Polar Surface Area
24.5
Rotatable Bonds
7
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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