Molecule

ID:129221

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O
Molecular Mass
272.38526
Exact Mass
272.1888634
Charge
0
InChI
InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKey
XNMYNYSCEJBRPZ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1cc2ccccc2c(n1)OCCN(C)C
Isomeric Smiles
O(c1nc(cc2ccccc12)CCCC)CCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9388475
LogD (pH = 7.4)
2.661797
Log P
3.9215243
Molar Refractivity
83.5675
Polarizability
33.878204
Polar Surface Area
25.36
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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