Chemical ID: 7245311

Cc1ccccc1n2cc(c(n2)c3ccccc3)C=O
Chemical ID:
7245311
Name [?]:
1-(o-tolyl)-3-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
Cc1ccccc1n2cc(c(n2)c3ccccc3)C=O
InChi [?]:
InChI=1/C17H14N2O/c1-13-7-5-6-10-16(13)19-11-15(12-20)17(18-19)14-8-3-2-4-9-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,4,5,3,14,18,6,9,19,2,13,10,7,11,12,8,20/E:(3,4)(8,9)/rA:20nCCCCCCCNCCCNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s10;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.70349
Area:460.911
Solvation:-2.81927
Coulombic:-13.9013
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.306
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.86
LogP (Chemaxon):4.23

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