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Chemical ID: 6364747
Chemical ID:
6364747
Name [?]:
N-(2,4,5-trichlorophenyl)cyclopentanecarboxamide
SMILES [?]:
c1c(c(cc(c1Cl)Cl)Cl)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C12H12Cl3NO/c13-8-5-10(15)11(6-9(8)14)16-12(17)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,16,14,17,4,1,13,5,6,3,2,11,8,7,9,10,12/E:(1,2)(3,4)/rA:17nCCCCCCClClClNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12Cl3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93353 |
Area: | 455.62 |
Solvation: | -1.45696 |
Coulombic: | -22.103 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.588 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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