Chemical ID: 4082908

CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])C
Chemical ID:
4082908
Name [?]:
None
SMILES [?]:
CC12C=CC(O1)(C3C2C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H14N2O5/c1-15-7-8-16(2,23-15)12-11(15)13(19)17(14(12)20)9-3-5-10(6-4-9)18(21)22/h3-8,11-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,15,19,16,18,3,4,14,17,8,7,9,12,2,5,11,20,10,13,21,22,6/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)(19,20)(21,22)/CRV:18.5/rA:23cCCCCCOCCCONCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;s2s5;s5;s2s7;s8;d9;s9;s7s11;d12;s11;s14;d15;s16;d17;d14s18;s17;d20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:3.45195
Area:476.018
Solvation:-8.44849
Coulombic:-43.1202
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.293
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.66
LogP (Chemaxon):1.12

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