Chemical ID: 5766126

c1cc2c(cc1CN3CCN(CC3)C(=O)C=CC(=O)O)OCO2
Chemical ID:
5766126
Name [?]:
4-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-but-2-enoic acid
SMILES [?]:
c1cc2c(cc1CN3CCN(CC3)C(=O)C=CC(=O)O)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H18N2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.86989
Area:510.021
Solvation:-5.88063
Coulombic:-62.253
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:318.325
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.63
LogP (Chemaxon):-1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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