Chemical ID: 6393442

c1cc(ccc1CC(=O)N2CCCCC2)[N+](=O)[O-]
Chemical ID:
6393442
Name [?]:
2-(4-nitrophenyl)-1-(1-piperidyl)ethanone
SMILES [?]:
c1cc(ccc1CC(=O)N2CCCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H16N2O3/c16-13(14-8-2-1-3-9-14)10-11-4-6-12(7-5-11)15(17)18/h4-7H,1-3,8-10H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,5,2,4,11,15,7,6,3,8,10,16,9,17,18/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:15.5/rA:18nCCCCCCCCONCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.50886
Area:437.392
Solvation:-7.42595
Coulombic:-28.0339
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.278
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):1.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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