Chemical ID: 5734486

c1ccc(c(c1)C#N)NC(=O)c2ccc(o2)c3cccc(c3Cl)Cl
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

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Descriptor Annotations

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