Chemical ID: 5657734

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccc(c4)N(=O)=O)[O-]
Chemical ID:
5657734
Name [?]:
[2-(3-nitrophenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccc(c4)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31N3O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-48.2023
Area:715.433
Solvation:-66.0881
Coulombic:-25.576
Bond Count [?]
All:40
Single:29
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:509.551
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.95
LogP (Chemaxon):0.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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