Chemical ID: 4192895

CCC(=O)Nc1cc(c(cc1Cl)Cl)Cl
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

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Descriptor Annotations

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