Chemical ID: 5477699

CC1CCN(CC1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3
Chemical ID:
5477699
Name [?]:
(4-methyl-1-piperidyl)-(4-morpholino-3-nitro-phenyl)-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3
InChi [?]:
InChI=1/C17H23N3O4/c1-13-4-6-19(7-5-13)17(21)14-2-3-15(16(12-14)20(22)23)18-8-10-24-11-9-18/h2-3,12-13H,4-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,3,7,4,6,20,24,21,23,15,2,10,13,14,8,19,5,16,9,17,18,22/E:(4,5)(6,7)(8,9)(10,11)(22,23)/CRV:20.5/rA:24nCCCCNCCCOCCCCCCN+OO-NCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.44531
Area:522.365
Solvation:-9.61382
Coulombic:-42.0411
Bond Count [?]
All:26
Single:21
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.382
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.52
LogP (Chemaxon):2.12

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Descriptor Annotations

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