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Chemical ID: 7305764
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
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Experimental Annotations
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Descriptor Annotations
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