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Chemical ID: 4775303
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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