Chemical ID: 5546253

CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OC(C)C(=O)O)c3ccccc3
Chemical ID:
5546253
Name [?]:
2-[2-methoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]propanoic acid
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OC(C)C(=O)O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.21197
Area:593.437
Solvation:-6.62396
Coulombic:-58.2084
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:380.394
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.24
LogP (Chemaxon):3.67

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Experimental Annotations

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Descriptor Annotations

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