Chemical ID: 4775303

c1cc(ccc1C(=O)Cn2nc(nn2)c3cc(cc(c3)Cl)Cl)Cl
Chemical ID:
4775303
Name [?]:
1-(4-chlorophenyl)-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]-ethanone
SMILES [?]:
c1cc(ccc1C(=O)Cn2nc(nn2)c3cc(cc(c3)Cl)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl3N4O/c16-11-3-1-9(2-4-11)14(23)8-22-20-15(19-21-22)10-5-12(17)7-13(18)6-10/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,20,18,9,6,15,3,17,19,7,12,23,22,21,13,11,14,10,8/E:(1,2)(3,4)(5,6)(12,13)(17,18)/rA:23nCCCCCCCOCNNCNNCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;s10d13;s12;s15;d16;s17;d18;d15s19;s19;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3N4O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.154
Area:573.485
Solvation:-3.18309
Coulombic:-14.889
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.616
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.41
LogP (Chemaxon):4.18

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