Chemical ID: 4128880

Cc1cccc(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4128880
Name [?]:
[4-[(3-nitrobenzoyl)aminoiminomethyl]phenyl] 3-methylbenzoate
SMILES [?]:
Cc1cccc(c1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.29823
Area:647.307
Solvation:-9.88445
Coulombic:-51.0131
Bond Count [?]
All:32
Single:19
Double:13
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:403.388
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.7
LogP (Chemaxon):4.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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