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Chemical ID: 6961050
Chemical ID:
6961050
Name [?]:
N-[3-(1,3-dioxoisoindolin-2-yl)phenyl]furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)c3cccc(c3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C19H12N2O4/c22-17(16-9-4-10-25-16)20-12-5-3-6-13(11-12)21-18(23)14-7-1-2-8-15(14)19(21)24/h1-11H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,23,15,13,6,3,22,24,17,16,12,5,4,21,19,7,10,18,9,20,8,11,25/E:(1,2)(7,8)(14,15)(18,19)(23,24)/rA:25nCCCCCCCONCOCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88164 |
Area: | 525.113 |
Solvation: | -3.24618 |
Coulombic: | -57.1086 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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