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Chemical ID: 6321914
Chemical ID:
6321914
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(3,4-dichlorophenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)Cl)Cl)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H12Cl4N2O2/c1-9(24-15-5-3-11(17)7-14(15)20)16(23)22-21-8-10-2-4-12(18)13(19)6-10/h2-9H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,19,10,18,13,21,7,2,8,20,11,12,22,17,3,24,15,14,23,6,5,4,16/rA:24cCCCONNCCCCCCCClClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s2;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl4N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64897 |
Area: | 606.918 |
Solvation: | -5.52397 |
Coulombic: | -27.4734 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.09 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.69 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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