Molecule

ID:29429

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO
Molecular Mass
311.46106
Exact Mass
311.22491455
Charge
0
InChI
InChI=1S/C21H29NO/c1-5-17(4)19-11-7-9-13-21(19)23-15-14-22-20-12-8-6-10-18(20)16(2)3/h6-13,16-17,22H,5,14-15H2,1-4H3
InChIKey
YIRCJRCRXDWLEP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCNc1ccccc1C(C)C)C
Isomeric Smiles
c1(c(NCCOc2c(C(CC)C)cccc2)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.0129285
LogD (pH = 7.4)
6.024511
Log P
6.0246606
Molar Refractivity
99.7866
Polarizability
38.221466
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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