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Chemical ID: 7741740
Chemical ID:
7741740
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)CC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4
InChi [?]:
InChI=1/C27H25NO3/c29-24-19-27(31-25-9-5-4-8-23(24)25)14-16-28(17-15-27)26(30)18-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h1-13H,14-19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,27,28,3,5,26,29,9,11,8,12,18,20,17,21,13,22,10,4,7,25,23,30,14,19,16,24,15,31/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:31nCCCCCCCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s19s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H25NO3 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.389 |
Area: | 632.384 |
Solvation: | -4.42062 |
Coulombic: | -34.1621 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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