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Chemical ID: 7599052
Chemical ID:
7599052
Name [?]:
None
SMILES [?]:
CN1C2CCC1CC(C2)OC(=O)C3c4ccccc4CCc5c3cccc5
InChi [?]:
InChI=1/C24H27NO2/c1-25-18-12-13-19(25)15-20(14-18)27-24(26)23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,26,16,25,18,27,15,24,20,21,4,5,9,7,19,22,3,6,8,14,23,13,11,2,12,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)/rA:27cCNCCCCCCCOCOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s13s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO2 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2282 |
Area: | 545.447 |
Solvation: | -2.408 |
Coulombic: | -26.9024 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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