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Chemical ID: 6414383
Chemical ID:
6414383
Name [?]:
N'-[(2,3-dichlorophenyl)methyleneamino]-N-(1-phenylethyl)oxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=O)NN=Cc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2N3O2/c1-11(12-6-3-2-4-7-12)21-16(23)17(24)22-20-10-13-8-5-9-14(18)15(13)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,19,4,8,18,20,16,2,3,17,21,22,10,12,24,23,15,9,14,11,13/E:(3,4)(6,7)/rA:24cCCCCCCCCNCOCONNCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6229 |
Area: | 574.037 |
Solvation: | -2.72798 |
Coulombic: | -47.4715 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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