Chemical ID: 7028630

c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
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

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Descriptor Annotations

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