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Chemical ID: 4684408
Chemical ID:
4684408
Name [?]:
N'-[(3,4-dichlorophenyl)methyleneamino]-N-phenyl-oxamide
SMILES [?]:
c1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O2/c16-12-7-6-10(8-13(12)17)9-18-20-15(22)14(21)19-11-4-2-1-3-5-11/h1-9H,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,17,20,14,15,4,18,19,8,10,22,21,13,7,12,9,11/E:(2,3)(4,5)/rA:22nCCCCCCNCOCONNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4526 |
Area: | 530.76 |
Solvation: | -2.81645 |
Coulombic: | -45.8338 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.172 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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