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Chemical ID: 5734486
Chemical ID:
5734486
Name [?]:
N-(2-cyanophenyl)-5-(2,3-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)c2ccc(o2)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C18H10Cl2N2O2/c19-13-6-3-5-12(17(13)20)15-8-9-16(24-15)18(23)22-14-7-2-1-4-11(14)10-21/h1-9H,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,6,18,20,3,14,13,7,5,17,21,4,15,12,22,10,24,23,8,9,11,16/rA:24nCCCCCCCNNCOCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10Cl2N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9724 |
Area: | 542.817 |
Solvation: | -2.59801 |
Coulombic: | -36.379 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.19 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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