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Chemical ID: 7587624
Chemical ID:
7587624
Name [?]:
None
SMILES [?]:
CCC1CC(=O)C2C34C1C(Cc5c3c(c(cc5)OC)O2)N(CC4)CC6CC6
InChi [?]:
InChI=1/C23H29NO3/c1-3-14-11-17(25)22-23-8-9-24(12-13-4-5-13)16(19(14)23)10-15-6-7-18(26-2)21(27-22)20(15)23/h6-7,13-14,16,19,22H,3-5,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,26,27,17,16,23,22,11,4,24,25,3,12,10,5,15,9,13,14,7,8,21,6,18,20/E:(4,5)/rA:27cCCCCCOCCCCCCCCCCCOCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s3s8;s9;s10;s11;s8s12;d13;s14;d15;d12s16;s15;s18;s7s14;s10;s21;s8s22;s21;s24;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO3 |
All Atoms: | 56 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.6888 |
Area: | 540.764 |
Solvation: | -5.8303 |
Coulombic: | -27.515 |
Bond Count [?]
All: | 32 |
Single: | 28 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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