Chemical ID: 7305764

c1cc(c(cc1C(=O)N2CCCC2)[N+](=O)[O-])N3CCOCC3
Chemical ID:
7305764
Name [?]:
(4-morpholino-3-nitro-phenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(c(cc1C(=O)N2CCCC2)[N+](=O)[O-])N3CCOCC3
InChi [?]:
InChI=1/C15H19N3O4/c19-15(17-5-1-2-6-17)12-3-4-13(14(11-12)18(20)21)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,10,13,18,22,19,21,5,6,3,4,7,17,9,14,8,15,16,20/E:(1,2)(5,6)(7,8)(9,10)(20,21)/CRV:18.5/rA:22nCCCCCCCONCCCCN+OO-NCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s4;d14;s14;s3;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O4
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:2.41713
Area:483.091
Solvation:-9.66014
Coulombic:-41.4321
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.329
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.65
LogP (Chemaxon):1.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue