Chemical ID: 7100322

Cc1c(c(n(n1)c2ccccc2)c3ccc(cc3)Cl)C(=O)O
Chemical ID:
7100322
Name [?]:
5-(4-chlorophenyl)-3-methyl-1-phenyl-pyrazole-4-carboxylic acid
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C17H13ClN2O2/c1-11-15(17(21)22)16(12-7-9-13(18)10-8-12)20(19-11)14-5-3-2-4-6-14/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,12,14,18,15,17,2,13,16,7,3,4,20,19,6,5,21,22/E:(3,4)(5,6)(7,8)(9,10)(21,22)/rA:22nCCCCNNCCCCCCCCCCCCClCOO/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O2
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.95976
Area:491.795
Solvation:-2.33511
Coulombic:-34.4452
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.75
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):3.43

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