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Chemical ID: 6376342
Chemical ID:
6376342
Name [?]:
1-(4-methyl-1-piperidyl)-2-(4-nitrophenyl)-ethanone
SMILES [?]:
CC1CCN(CC1)C(=O)Cc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H18N2O3/c1-11-6-8-15(9-7-11)14(17)10-12-2-4-13(5-3-12)16(18)19/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,13,15,3,7,4,6,10,2,11,14,8,5,17,9,18,19/E:(2,3)(4,5)(6,7)(8,9)(18,19)/CRV:16.5/rA:19nCCCCNCCCOCCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.06273 |
Area: | 459.083 |
Solvation: | -7.41434 |
Coulombic: | -28.3376 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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