Chemical ID: 4806192

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])C
Chemical ID:
4806192
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])C
InChi [?]:
InChI=1/C19H14N2O5/c1-10-3-8-14-13(9-10)17(22)15-16(20(2)19(23)18(15)26-14)11-4-6-12(7-5-11)21(24)25/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,18,22,19,21,4,7,2,17,20,6,5,10,16,8,11,13,15,23,9,14,24,25,12/E:(4,5)(6,7)(24,25)/CRV:21.5/rA:26cCCCCCCCCOCCOCONCCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:4.8287
Area:533.211
Solvation:-8.50159
Coulombic:-46.6198
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:350.325
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.63
LogP (Chemaxon):3.08

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Descriptor Annotations

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