Chemical ID: 5588296

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)[N+](=O)[O-])F
Chemical ID:
5588296
Name [?]:
2-fluoro-N-[(3-nitrophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)[N+](=O)[O-])F
InChi [?]:
InChI=1/C16H13FN4O4/c17-14-7-2-1-6-13(14)16(23)18-10-15(22)20-19-9-11-4-3-5-12(8-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,6,3,21,15,10,16,20,5,4,11,7,25,9,14,13,22,12,8,23,24/E:(24,25)/CRV:21.5/rA:25nCCCCCCCONCCONNCCCCCCCN+OO-F/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13FN4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.03716
Area:559.001
Solvation:-10.9379
Coulombic:-54.5158
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:344.297
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.1
LogP (Chemaxon):2.26

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Descriptor Annotations

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