Molecule

ID:128525

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅NO₃
Molecular Mass
375.4602
Exact Mass
375.18344367
Charge
0
InChI
InChI=1S/C24H25NO3/c26-19-8-6-16-14-18-17-7-9-20(27)23-24(17,21(16)22(19)28-23)11-13-25(18)12-10-15-4-2-1-3-5-15/h1-9,17-18,20,23,26-27H,10-14H2
InChIKey
BXKJGGVENHTVBF-UHFFFAOYSA-N
Canonic Smiles
OC1C=CC2C34C1Oc1c4c(CC2N(CC3)CCc2ccccc2)ccc1O
Isomeric Smiles
c1ccccc1CCN1CCC23C4Oc5c2c(ccc5O)CC1C3C=CC4O
Calculated Properties
JChem
Acid pKa
7.5029583
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.070151344
LogD (pH = 7.4)
1.4811732
Log P
1.8305987
Molar Refractivity
109.49
Polarizability
42.05795
Polar Surface Area
52.93
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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