Molecule

ID:34141

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O
Molecular Mass
272.38526
Exact Mass
272.1888634
Charge
0
InChI
InChI=1S/C17H24N2O/c20-17(16-4-2-1-3-5-16)19-12-8-15(9-13-19)14-6-10-18-11-7-14/h1-5,14-15,18H,6-13H2
InChIKey
HAKNHQBERYQVKI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)N1CCC(CC1)C1CCNCC1
Isomeric Smiles
N1(C(=O)c2ccccc2)CCC(C2CCNCC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2313026
LogD (pH = 7.4)
-0.77445215
Log P
2.000267
Molar Refractivity
82.0002
Polarizability
31.6518
Polar Surface Area
32.34
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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