Chemical ID: 7684251

c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)C3CCCCCC3
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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