Molecule

ID:28948

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-14(2)18-8-10-19(11-9-18)22-17(5)13-21-20-12-15(3)6-7-16(20)4/h6-12,14,17,21H,13H2,1-5H3
InChIKey
VAHXVKDRUNFGQL-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)C)CNc1cc(C)ccc1C
Isomeric Smiles
c1(NCC(Oc2ccc(cc2)C(C)C)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.757132
LogD (pH = 7.4)
5.778225
Log P
5.7785006
Molar Refractivity
95.496
Polarizability
36.293877
Polar Surface Area
21.26
Rotatable Bonds
6
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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