Molecule

ID:129234

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₄
Molecular Mass
393.47548
Exact Mass
393.19400835
Charge
0
InChI
InChI=1S/C24H27NO4/c26-17-7-6-16-14-19-24(28)10-8-18(27)22-23(24,20(16)21(17)29-22)11-13-25(19)12-9-15-4-2-1-3-5-15/h1-7,18-19,22,26-28H,8-14H2/t18-,19+,22-,23-,24+/m0/s1
InChIKey
GAHRZWMAHDWVCL-VKJMTUIMSA-N
Canonic Smiles
O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CCc2ccccc2)ccc1O)O
Isomeric Smiles
C1C[C@]2([C@H]3Cc4c5[C@@]2(CCN3CCc2ccccc2)[C@H]([C@H]1O)Oc5c(cc4)O)O
Calculated Properties
JChem
Acid pKa
7.453265
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.61068267
LogD (pH = 7.4)
0.80508226
Log P
1.1261756
Molar Refractivity
109.8245
Polarizability
42.915634
Polar Surface Area
73.16
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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