Chemical ID: 4741203

Cc1cc(n(n1)c2ccccc2)OC(=O)c3ccccc3
Chemical ID:
4741203
Name [?]:
(5-methyl-2-phenyl-pyrazol-3-yl) benzoate
SMILES [?]:
Cc1cc(n(n1)c2ccccc2)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H14N2O2/c1-13-12-16(19(18-13)15-10-6-3-7-11-15)21-17(20)14-8-4-2-5-9-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,10,18,20,9,11,17,21,8,12,3,2,16,7,4,14,6,5,15,13/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCNNCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.97301
Area:472.342
Solvation:-1.83554
Coulombic:-27.9688
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:278.305
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):3.34

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