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Chemical ID: 4192895
Chemical ID:
4192895
Name [?]:
N-(2,4,5-trichlorophenyl)propanamide
SMILES [?]:
CCC(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C9H8Cl3NO/c1-2-9(14)13-8-4-6(11)5(10)3-7(8)12/h3-4H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,7,9,8,11,6,3,13,14,12,5,4/rA:14nCCCONCCCCCCClClCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s9;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8Cl3NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67453 |
Area: | 409.661 |
Solvation: | -1.56699 |
Coulombic: | -21.0614 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.39 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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