Chemical ID: 4135778

c1ccc(cc1)n2c(cc(n2)c3ccc(cc3)Cl)C(=O)O
Chemical ID:
4135778
Name [?]:
5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(16(20)21)19(18-14)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,9,12,15,4,10,8,19,18,11,7,20,21/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:21nCCCCCCNCCCNCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.68017
Area:481.851
Solvation:-2.36611
Coulombic:-35.6444
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.724
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):3.88

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