Molecule

ID:111960

General Information

Structure

MolImage

Molecular Formula

C₂₁H₂₁O₄P

Molecular Mass

368.362801

Exact Mass

368.11774578

Charge

0

InChI

InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3

InChIKey

BOSMZFBHAYFUBJ-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C

Isomeric Smiles

Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

6.627918

LogD (pH = 7.4)

6.627918

Log P

6.627918

Molar Refractivity

102.5552

Polarizability

40.086414

Polar Surface Area

44.76

Rotatable Bonds

6

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity