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Chemical ID: 6745941
Chemical ID:
6745941
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)c6ccc(cc6)C(=O)[O-]
InChi [?]:
InChI=1/C25H17NO4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)26(23)14-11-9-13(10-12-14)25(29)30/h1-12,19-22H,(H,29,30)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,10,11,6,3,9,12,24,26,23,27,25,22,5,4,8,13,7,14,16,15,17,20,28,19,18,21,29,30/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(15,16,17,18)(19,20)(21,22)(23,24)(27,28)(29,30)/rA:30cCCCCCCCCCCCCCCCCCONCOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s14;s7s15;s16;d17;s17;s15s19;d20;s19;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H16NO4- |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -32.2521 |
Area: | 554.7 |
Solvation: | -46.1196 |
Coulombic: | -25.1582 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 394.399 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.28 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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