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Chemical ID: 4378187

c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Cl)C(=O)Oc4ccccc4

Chemical ID:

4378187

Name [?]:

phenyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

SMILES [?]:

c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Cl)C(=O)Oc4ccccc4

InChi [?]:

InChI=1/C22H15ClN2O2/c23-17-13-11-16(12-14-17)21-20(22(26)27-19-9-5-2-6-10-19)15-25(24-21)18-7-3-1-4-8-18/h1-15H

InChi Info:

AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,13,17,14,16,8,12,15,4,22,9,10,19,18,11,7,20,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCNCCCNCCCCCCClCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅ClN₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4683
Area:	595.572
Solvation:	-2.42105
Coulombic:	-28.3157

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	374.819
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.06
LogP (Chemaxon):	5.83

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value