Chemical ID: 4297920

COc1cc(ccc1O)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
4297920
Name [?]:
N'-(4-chlorophenyl)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14ClN3O4/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:24nCOCCCCCCOCNNCOCONCCCCCCCl/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:C16H14ClN3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.57633
Area:559.281
Solvation:-5.4057
Coulombic:-67.1745
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:347.753
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.16
LogP (Chemaxon):2.96

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