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Chemical ID: 6644191
Chemical ID:
6644191
Name [?]:
N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]-2-(4-nitrophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1O)OC)Oc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O6/c1-11(26-14-8-6-13(7-9-14)20(23)24)17(22)19-18-10-12-4-3-5-15(25-2)16(12)21/h3-11,21H,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,16,10,9,11,20,22,19,23,7,2,8,21,18,12,13,3,6,5,24,14,4,25,26,15,17/E:(6,7)(8,9)(23,24)/CRV:20.5/rA:26cCCCONNCCCCCCCOOCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s12;s15;s2;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 1.33927 |
Area: | 581.187 |
Solvation: | -13.1904 |
Coulombic: | -59.5247 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.48 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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