Chemical ID: 5659436

CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5659436
Name [?]:
[4,5-dioxo-2-(3-propoxyphenyl)-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)C)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-43.047
Area:653.331
Solvation:-59.3803
Coulombic:-32.005
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:442.506
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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