Chemical ID: 5673139

CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2CC[NH+](CC)CC
Chemical ID:
5673139
Name [?]:
[1-(2-diethylammonioethyl)-4,5-dioxo-2-(3-propoxyphenyl)-pyrrolidin-3-ylidene]-(4-methoxyphenyl)-methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2CC[NH+](CC)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H34N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-38.7793
Area:707.243
Solvation:-56.4604
Coulombic:-18.9732
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:466.569
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.86
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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