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Chemical ID: 5843766
Chemical ID:
5843766
Name [?]:
N-[(4-chlorophenyl)methyleneamino]-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)NN=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H12ClN3O4/c16-12-7-5-11(6-8-12)9-17-18-15(20)10-23-14-4-2-1-3-13(14)19(21)22/h1-9H,10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,16,11,17,20,5,4,12,23,15,14,7,13,8,9,10/E:(5,6)(7,8)(21,22)/CRV:19.5/rA:23nCCCCCCN+OO-OCCONNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClN3O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -0.218797 |
Area: | 538.086 |
Solvation: | -13.671 |
Coulombic: | -34.9903 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.726 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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