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Chemical ID: 4348571
Chemical ID:
4348571
Name [?]:
3-phenyl-N-(2,4,5-trichlorophenyl)-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2cc(c(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO/c16-11-8-13(18)14(9-12(11)17)19-15(20)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,8,16,13,4,15,14,17,12,9,19,20,18,11,10/E:(2,3)(4,5)/rA:20nCCCCCCCCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2442 |
Area: | 524.339 |
Solvation: | -1.86428 |
Coulombic: | -22.8025 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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