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Chemical ID: 4292952

Chemical ID:

4292952

Name [?]:

N'-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide

SMILES [?]:

COc1cc(ccc1O)C=NNC(=O)C(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C16H14FN3O4/c1-24-14-8-10(2-7-13(14)21)9-18-20-16(23)15(22)19-12-5-3-11(17)4-6-12/h2-9,21H,1H3,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,6,20,22,19,23,7,4,10,5,21,18,8,3,15,13,24,11,17,12,9,16,14,2/E:(3,4)(5,6)/rA:24nCOCCCCCCOCNNCOCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄FN₃O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.96653
Area:	530.947
Solvation:	-6.30714
Coulombic:	-69.94

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:	2.69
LogP (Chemaxon):	2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value