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Chemical ID: 6442801
Chemical ID:
6442801
Name [?]:
2-(4-formylphenoxy)-N-(3-nitrophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C15H12N2O5/c18-9-11-4-6-14(7-5-11)22-10-15(19)16-12-2-1-3-13(8-12)17(20)21/h1-9H,10H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,21,13,18,3,5,15,11,10,7,22,12,8,9,14/E:(4,5)(6,7)(20,21)/CRV:17.5/rA:22nCCCCCCN+OO-NCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2O5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.76463 |
Area: | 512.244 |
Solvation: | -11.0415 |
Coulombic: | -45.5444 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.266 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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