Chemical ID: 4492007

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])Cc5ccc(cc5)F
Chemical ID:
4492007
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])Cc5ccc(cc5)F
InChi [?]:
InChI=1/C24H15FN2O5/c25-16-9-5-14(6-10-16)13-26-21(15-7-11-17(12-8-15)27(30)31)20-22(28)18-3-1-2-4-19(18)32-23(20)24(26)29/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,27,31,17,21,28,30,18,20,25,26,16,29,19,5,4,9,15,7,10,12,32,14,22,8,13,23,24,11/E:(5,6)(7,8)(9,10)(11,12)(30,31)/CRV:27.5/rA:32cCCCCCCCOCCOCONCCCCCCCN+OO-CCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s14;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15FN2O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:5.68649
Area:619.631
Solvation:-9.80429
Coulombic:-51.6234
Bond Count [?]
All:36
Single:23
Double:13
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.385
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.06
LogP (Chemaxon):4.53

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Experimental Annotations

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Descriptor Annotations

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