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Chemical ID: 7514472
Chemical ID:
7514472
Name [?]:
5-(3-chloro-4-methyl-phenyl)-N-(2-chloro-4-nitro-phenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)c2ccc(o2)C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H12Cl2N2O4/c1-10-2-3-11(8-13(10)19)16-6-7-17(26-16)18(23)21-15-5-4-12(22(24)25)9-14(15)20/h2-9H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,18,10,11,6,21,2,5,20,7,22,17,9,12,14,8,23,16,24,15,25,26,13/E:(24,25)/CRV:22.5/rA:26nCCCCCCCClCCCCOCONCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl2N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.60605 |
Area: | 599.601 |
Solvation: | -7.38398 |
Coulombic: | -43.2833 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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