Chemical ID: 5691558

C=CCOc1cccc(c1)C2C(=C(c3ccc(cc3)Cl)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
Chemical ID:
5691558
Name [?]:
[2-(3-allyloxyphenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-chlorophenyl)-methanolate
SMILES [?]:
C=CCOc1cccc(c1)C2C(=C(c3ccc(cc3)Cl)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29ClN2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-41.9445
Area:723.094
Solvation:-60.0218
Coulombic:-17.3792
Bond Count [?]
All:38
Single:28
Double:10
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:496.982
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.52
LogP (Chemaxon):0.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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