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Chemical ID: 7318940
Chemical ID:
7318940
Name [?]:
N-(5-chloro-2-nitro-phenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
c1cc(c(cc1Cl)NC(=O)CN2CCCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H16ClN3O3/c14-10-4-5-12(17(19)20)11(8-10)15-13(18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,5,11,6,4,3,9,7,8,12,18,10,19,20/E:(2,3)(6,7)(19,20)/CRV:17.5/rA:20nCCCCCCClNCOCNCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClN3O3 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.24502 |
Area: | 479.071 |
Solvation: | -6.73174 |
Coulombic: | -38.4328 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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