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Chemical ID: 7684251
Chemical ID:
7684251
Name [?]:
None
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)C3CCCCCC3
InChi [?]:
InChI=1/C15H16N2O4/c18-14-11-8-5-9-12(17(20)21)13(11)15(19)16(14)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2
InChi Info:
AuxInfo=1/0/N:18,19,17,20,1,16,21,2,6,15,3,5,4,13,10,12,7,14,11,8,9/E:(1,2)(3,4)(6,7)(20,21)/CRV:17.5/rA:21nCCCCCCN+OO-CONCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.98861 |
Area: | 449.159 |
Solvation: | -9.24037 |
Coulombic: | -34.1203 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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