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Chemical ID: 7074918
Chemical ID:
7074918
Name [?]:
N-(2-benzoylphenyl)-2,2,2-trichloro-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C15H10Cl3NO2/c16-15(17,18)14(21)19-12-9-5-4-8-11(12)13(20)10-6-2-1-3-7-10/h1-9H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,5,10,13,4,9,14,7,16,18,19,20,21,15,8,17/E:(2,3)(6,7)(16,17,18)/rA:21nCCCCCCCOCCCCCCNCOCClClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl3NO2 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3677 |
Area: | 494.976 |
Solvation: | -2.0067 |
Coulombic: | -36.351 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.604 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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