Chemical ID: 6650385

COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)F)O
Chemical ID:
6650385
Name [?]:
N'-(4-fluorophenyl)-N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)F)O
InChi [?]:
InChI=1/C16H14FN3O4/c1-24-13-6-7-14(21)10(8-13)9-18-20-16(23)15(22)19-12-4-2-11(17)3-5-12/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,19,21,18,22,4,5,8,9,7,20,17,3,6,14,12,23,10,16,11,24,15,13,2/E:(2,3)(4,5)/rA:24nCOCCCCCCCNNCOCONCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14FN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.33294
Area:521.518
Solvation:-5.70502
Coulombic:-69.741
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:331.299
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.7
LogP (Chemaxon):2.58

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