Chemical ID: 7377133

c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)OCC(=O)c4ccc5c(c4)NC(=O)CO5
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

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Descriptor Annotations

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