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Chemical ID: 4286857
Chemical ID:
4286857
Name [?]:
N-(3-chlorophenyl)-N'-[(2,4-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl3N3O2/c16-10-2-1-3-12(6-10)20-14(22)15(23)21-19-8-9-4-5-11(17)7-13(9)18/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,17,18,4,20,15,16,5,19,3,21,9,11,7,23,22,14,8,13,10,12/rA:23nCCCCCCClNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl3N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5655 |
Area: | 568.022 |
Solvation: | -2.63508 |
Coulombic: | -45.8187 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.617 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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