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Chemical ID: 7708639
Chemical ID:
7708639
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)Nc2ccc(cc2[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C15H14N2O4/c1-9-3-5-12(10(2)7-9)16-13-6-4-11(15(18)19)8-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,3,12,4,11,7,14,2,6,13,5,10,15,19,9,16,20,21,17,18/E:(18,19)(20,21)/CRV:17.5/rA:21nCCCCCCCCNCCCCCCN+OO-COO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 3.7359 |
Area: | 468.991 |
Solvation: | -7.98888 |
Coulombic: | -49.0251 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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