Chemical ID: 7028617

Cc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)[N+](=O)[O-]
Chemical ID:
7028617
Name [?]:
5-(2-chloro-4-nitro-phenyl)-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13ClN2O4/c1-11-2-4-12(5-3-11)20-18(22)17-9-8-16(25-17)14-7-6-13(21(23)24)10-15(14)19/h2-10H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,18,17,13,12,20,2,5,19,16,21,14,11,9,22,8,23,10,24,25,15/E:(2,3)(4,5)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCCCCOCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;s19;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2O4
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.88738
Area:562.286
Solvation:-8.16978
Coulombic:-42.117
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.76
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.47
LogP (Chemaxon):4.44

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Descriptor Annotations

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