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Chemical ID: 3967760
Chemical ID:
3967760
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4C56CCN(C(C5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8
InChi [?]:
InChI=1/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,30,31,25,24,12,13,19,17,28,29,20,5,7,4,23,15,21,8,22,10,11,16,9,14,26,18,27/E:(5,6)/rA:31cCCCCCCCCNCCCCNCCCOCCCCCCCOOCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s11s15;s7s16;s16;s15;s19;s11s20;d21;s22;d23;d20s24;s23;s10s22;s14;s28;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.10497 |
Area: | 573.444 |
Solvation: | -5.23114 |
Coulombic: | -58.0299 |
Bond Count [?]
All: | 38 |
Single: | 31 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 414.496 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.71 |
LogP (Chemaxon): | 3.33 |
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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