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Chemical ID: 7377133
Chemical ID:
7377133
Name [?]:
[2-oxo-2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-ethyl] 2-fluoren-9-ylideneaminooxyacetate
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)OCC(=O)c4ccc5c(c4)NC(=O)CO5
InChi [?]:
InChI=1/C25H18N2O6/c28-21(15-9-10-22-20(11-15)26-23(29)13-31-22)12-32-24(30)14-33-27-25-18-7-3-1-5-16(18)17-6-2-4-8-19(17)25/h1-11H,12-14H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,24,25,28,20,32,16,23,5,7,4,12,27,21,26,30,17,13,29,14,22,31,18,33,19,15/E:(1,2)(3,4)(5,6)(7,8)(16,17)(18,19)/rA:33nCCCCCCCCCCCCCNOCCOOCCOCCCCCCNCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;d30;s30;s26s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18N2O6 |
All Atoms: | 51 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7938 |
Area: | 688.954 |
Solvation: | -6.43002 |
Coulombic: | -62.1798 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 442.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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