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Chemical ID: 7028617
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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