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Chemical ID: 5785302
Chemical ID:
5785302
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)c6ccc7c(c6)OCO7
InChi [?]:
InChI=1/C25H17NO4/c27-24-22-20-14-5-1-2-6-15(14)21(17-8-4-3-7-16(17)20)23(22)25(28)26(24)13-9-10-18-19(11-13)30-12-29-18/h1-11,20-23H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,23,24,27,29,22,5,4,8,13,25,26,7,14,16,15,17,20,19,18,21,30,28/E:(1,2,3,4)(5,6,7,8)(14,15,16,17)(20,21)(22,23)(24,25)(27,28)/rA:30cCCCCCCCCCCCCCCCCCONCOCCCCCCOCO/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;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H17NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1308 |
Area: | 561.558 |
Solvation: | -3.90813 |
Coulombic: | -41.856 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 395.407 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.89 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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