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Chemical ID: 7706280
Chemical ID:
7706280
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)c4ccc(cc4O)O
InChi [?]:
InChI=1/C25H18N2O5/c28-18-10-13-22(23(29)14-18)24(30)27-26-15-16-8-11-19(12-9-16)32-25(31)21-7-3-5-17-4-1-2-6-20(17)21/h1-15,28-29H,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,16,18,27,15,19,26,29,20,17,5,28,14,4,10,25,30,23,11,21,22,32,31,24,12,13/E:(8,9)(11,12)/rA:32nCCCCCCCCCCCOOCCCCCCCNNCOCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18N2O5 |
All Atoms: | 50 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4997 |
Area: | 676.75 |
Solvation: | -6.41903 |
Coulombic: | -71.7339 |
Bond Count [?]
All: | 35 |
Single: | 21 |
Double: | 14 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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