Molecule

ID:1260

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO₃
Molecular Mass
327.4174
Exact Mass
327.18344367
Charge
0
InChI
InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3
InChIKey
RHUWRJWFHUKVED-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCN(C)C
Isomeric Smiles
O(C(c1ccccc1)(c1ccccc1)C(=O)OCCN(C)C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9042276
LogD (pH = 7.4)
2.665685
Log P
3.7220201
Molar Refractivity
95.7701
Polarizability
37.633137
Polar Surface Area
38.77
Rotatable Bonds
9
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.43
LOG S
-4.03
Solubility (Water)
3.04e-02 g/l
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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