Chemical ID: 5774871

c1ccc(cc1)c2cc(n(n2)Cc3ccc(cc3)Cl)c4ccccc4
Chemical ID:
5774871
Name [?]:
1-[(4-chlorophenyl)methyl]-3,5-diphenyl-pyrazole
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)Cc3ccc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C22H17ClN2/c23-20-13-11-17(12-14-20)16-25-22(19-9-5-2-6-10-19)15-21(24-25)18-7-3-1-4-8-18/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,14,18,15,17,8,12,13,4,20,16,7,9,19,11,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCCCCNNCCCCCCCClCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8375
Area:561.464
Solvation:-2.19913
Coulombic:-10.2245
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.837
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.74
LogP (Chemaxon):6.15

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Descriptor Annotations

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