Molecule

ID:28869

General Information
Structure
Molecular Formula
C₂₇H₂₅NO₃
Molecular Mass
411.4923
Exact Mass
411.18344367
Charge
0
InChI
InChI=1S/C27H25NO3/c1-3-9-24(10-4-1)29-18-19-30-27-13-7-8-22(20-27)21-28-23-14-16-26(17-15-23)31-25-11-5-2-6-12-25/h1-17,20,28H,18-19,21H2
InChIKey
LGRXZEMKFQFPGC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)OCCOc1cccc(c1)CNc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N(c1ccc(Oc2ccccc2)cc1)Cc1cc(OCCOc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.125942
LogD (pH = 7.4)
6.156755
Log P
6.1571627
Molar Refractivity
124.1206
Polarizability
47.900787
Polar Surface Area
39.72
Rotatable Bonds
10
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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