Molecule

ID:29213

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-6-18-12-8-9-14(2)19(18)21-13-17(5)22-20-15(3)10-7-11-16(20)4/h7-12,17,21H,6,13H2,1-5H3
InChIKey
ZXRBNDZVOBOUII-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NCC(Oc1c(C)cccc1C)C)C
Isomeric Smiles
c1(OC(CNc2c(cccc2CC)C)C)c(cccc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9919324
LogD (pH = 7.4)
6.004737
Log P
6.004903
Molar Refractivity
95.9886
Polarizability
36.21726
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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