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Chemical ID: 7029056
Chemical ID:
7029056
Name [?]:
5-(4-chlorophenyl)-N-(2-methyl-4-nitro-phenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13ClN2O4/c1-11-10-14(21(23)24)6-7-15(11)20-18(22)17-9-8-16(25-17)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,5,6,13,12,3,2,16,19,4,7,14,11,9,22,8,23,10,24,25,15/E:(2,3)(4,5)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCCCCOCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2O4 |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93119 |
Area: | 571.57 |
Solvation: | -7.35806 |
Coulombic: | -43.8412 |
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: | 4.26 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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