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Chemical ID: 4397168
Chemical ID:
4397168
Name [?]:
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H10Cl2N2O4/c18-13-3-1-2-12(16(13)19)14-8-9-15(25-14)17(22)20-10-4-6-11(7-5-10)21(23)24/h1-9H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,10,11,17,20,3,5,9,12,4,14,7,8,16,23,15,24,25,13/E:(4,5)(6,7)(23,24)/CRV:21.5/rA:25nCCCCCCClClCCCCOCONCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76146 |
Area: | 569.827 |
Solvation: | -7.48421 |
Coulombic: | -43.9619 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.178 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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