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Chemical ID: 7658647
Chemical ID:
7658647
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)OC)OC
InChi [?]:
InChI=1/C21H26N2O2S/c1-22-8-10-23(11-9-22)19-12-15-4-5-17(25-3)14-21(15)26-20-7-6-16(24-2)13-18(19)20/h4-7,13-14,19H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,26,11,12,21,22,3,7,4,6,9,19,14,10,20,13,18,8,17,15,2,5,23,25,16/E:(8,9)(10,11)/rA:26cCNCCNCCCCCCCCCCSCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;s23;s13;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2S |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.62553 |
Area: | 557.354 |
Solvation: | -4.30831 |
Coulombic: | -25.7502 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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