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Chemical ID: 7028630
Chemical ID:
7028630
Name [?]:
N,5-bis(2-chloro-4-nitro-phenyl)furan-2-carboxamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H9Cl2N3O6/c18-12-7-9(21(24)25)1-3-11(12)15-5-6-16(28-15)17(23)20-14-4-2-10(22(26)27)8-13(14)19/h1-8H,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,12,13,5,23,6,22,3,4,24,19,11,14,16,10,25,18,7,26,17,8,9,27,28,15/E:(24,25)(26,27)/CRV:21.5,22.5/rA:28nCCCCCCN+OO-ClCCCCOCONCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H9Cl2N3O6 |
All Atoms: | 37 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.29228 |
Area: | 622.775 |
Solvation: | -13.2771 |
Coulombic: | -52.5758 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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