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Chemical ID: 6650385
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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