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Chemical ID: 7703661
Chemical ID:
7703661
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4cccc(c4)C
InChi [?]:
InChI=1/C31H30N2O4/c1-3-4-9-23-13-16-26(17-14-23)36-21-30(34)33-32-20-28-27-12-6-5-10-24(27)15-18-29(28)37-31(35)25-11-7-8-22(2)19-25/h5-8,10-20H,3-4,9,21H2,1-2H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,37,2,3,22,21,33,34,4,23,32,20,6,10,25,7,9,26,36,17,12,35,5,24,31,8,19,18,27,13,29,16,15,14,30,11,28/E:(13,14)(16,17)/rA:37nCCCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s28;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H30N2O4 |
All Atoms: | 67 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5363 |
Area: | 763.9 |
Solvation: | -6.56124 |
Coulombic: | -48.1378 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.92 |
LogP (Chemaxon): | None |
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.
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