Chemical ID: 5674208

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)c3ccc(cc3)Cl)[O-]
Chemical ID:
5674208
Name [?]:
[2-(4-chlorophenyl)-1-(2-dimethylammonioethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)c3ccc(cc3)Cl)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27ClN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-40.5266
Area:652.888
Solvation:-56.8488
Coulombic:-11.6579
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:442.935
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.73
LogP (Chemaxon):0.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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