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Chemical ID: 4796941
Chemical ID:
4796941
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccccc5
InChi [?]:
InChI=1/C25H18N2O5/c1-15-10-11-20-19(12-15)23(28)21-22(17-8-5-9-18(13-17)27(30)31)26(25(29)24(21)32-20)14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,19,28,32,18,20,3,4,7,22,26,2,27,17,21,6,5,10,16,8,11,13,15,23,9,14,24,25,12/E:(3,4)(6,7)(30,31)/CRV:27.5/rA:32cCCCCCCCCOCCOCONCCCCCCCN+OO-CCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s15;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18N2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.93378 |
Area: | 632.146 |
Solvation: | -8.86988 |
Coulombic: | -48.3534 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 426.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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