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Chemical ID: 7708644
Chemical ID:
7708644
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)Nc2ccc(cc2[N+](=O)[O-])C(=O)O)C
InChi [?]:
InChI=1/C15H14N2O4/c1-9-5-10(2)7-12(6-9)16-13-4-3-11(15(18)19)8-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,11,10,3,7,5,13,2,4,12,6,9,14,18,8,15,19,20,16,17/E:(1,2)(6,7)(9,10)(18,19)(20,21)/CRV:17.5/rA:21nCCCCCCCNCCCCCCN+OO-COOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;d18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 3.85035 |
Area: | 472.61 |
Solvation: | -7.96491 |
Coulombic: | -49.0042 |
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: | 4.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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