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Chemical ID: 7714843
Chemical ID:
7714843
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c(oc2c1)C(=O)N3CCN(CC3)c4ccccc4OC)C)C
InChi [?]:
InChI=1/C23H26N2O3/c1-15-13-16(2)21-17(3)22(28-20(21)14-15)23(26)25-11-9-24(10-12-25)18-7-5-6-8-19(18)27-4/h5-8,13-14H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,27,26,21,22,20,23,15,17,14,18,3,10,2,4,6,19,24,9,5,7,11,16,13,12,25,8/E:(9,10)(11,12)/rA:28nCCCCCCCOCCCONCCNCCCCCCCCOCCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s24;s25;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3 |
All Atoms: | 54 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4409 |
Area: | 590.011 |
Solvation: | -4.30942 |
Coulombic: | -41.1668 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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