Chemical ID: 4285013

Cc1ccc(cc1[N+](=O)[O-])C(=O)N2C(CCCC2C)C
Chemical ID:
4285013
Name [?]:
(2,6-dimethyl-1-piperidyl)-(4-methyl-3-nitro-phenyl)-methanone
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)N2C(CCCC2C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-10-7-8-13(9-14(10)17(19)20)15(18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,16,17,15,3,4,6,2,18,14,5,7,11,13,8,12,9,10/E:(2,3)(5,6)(11,12)(19,20)/CRV:17.5/rA:20cCCCCCCCN+OO-CONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s13;s14;s15;s16;s13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:4.27397
Area:453.389
Solvation:-7.06076
Coulombic:-29.4208
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.35
LogP (Chemaxon):3.16

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Descriptor Annotations

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