Chemical ID: 6926587

Cc1c(c(n[nH]1)O)C(c2ccco2)C(C#N)C#N
Chemical ID:
6926587
Name [?]:
2-[2-furyl-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-methyl]propanedinitrile
SMILES [?]:
Cc1c(c(n[nH]1)O)C(c2ccco2)C(C#N)C#N
InChi [?]:
InChI=1/C12H10N4O2/c1-7-10(12(17)16-15-7)11(8(5-13)6-14)9-3-2-4-18-9/h2-4,8,11H,1H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,15,17,2,14,9,3,8,4,16,18,6,5,7,13/E:(5,6)(13,14)/rA:18cCCCCNNOCCCCCOCCNCN/rB:s1;d2;s3;d4;s2s5;s4;s3;s8;d9;s10;d11;s9s12;s8;s14;t15;s14;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N4O2
All Atoms:28
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.56281
Area:417.727
Solvation:-4.88037
Coulombic:-35.1462
Bond Count [?]
All:19
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.234
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.61
LogP (Chemaxon):1.72

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