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Chemical ID: 4410898
Chemical ID:
4410898
Name [?]:
N-[2-furyl-(8-hydroxy-5-nitro-7-quinolyl)-methyl]propanamide
SMILES [?]:
CCC(=O)NC(c1ccco1)c2cc(c3cccnc3c2O)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,9,16,8,18,10,13,15,12,14,7,3,6,20,21,19,5,23,4,22,24,25,11/E:(23,24)/CRV:20.5/rA:25cCCCONCCCCCOCCCCCCCNCCON+OO-/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s6;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;s14;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.12275 |
Area: | 532.157 |
Solvation: | -9.18117 |
Coulombic: | -58.7508 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 341.318 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.41 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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