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Chemical ID: 7310488
Chemical ID:
7310488
Name [?]:
N-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2ccc(cc2)OC(F)F
InChi [?]:
InChI=1/C15H12F2N2O5/c16-15(17)24-11-7-5-10(6-8-11)18-14(20)9-23-13-4-2-1-3-12(13)19(21)22/h1-8,15H,9H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,11,15,18,5,4,12,22,23,24,14,7,13,8,9,10,21/E:(5,6)(7,8)(16,17)(21,22)/CRV:19.5/rA:24nCCCCCCN+OO-OCCONCCCCCCOCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F2N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.2087 |
Area: | 510.332 |
Solvation: | -13.967 |
Coulombic: | -55.9065 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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