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Chemical ID: 7594403
Chemical ID:
7594403
Name [?]:
None
SMILES [?]:
CC(C)CC(=O)C1CCC2C1(CCC3C2CCC4C3(C=CC(=O)N4)C)C
InChi [?]:
InChI=1/C23H35NO2/c1-14(2)13-19(25)18-7-6-16-15-5-8-20-23(4,12-10-21(26)24-20)17(15)9-11-22(16,18)3/h10,12,14-18,20H,5-9,11,13H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,16,9,8,17,13,21,12,20,4,2,15,10,14,7,5,18,22,11,19,24,6,23/E:(1,2)/rA:26cCCCCCOCCCCCCCCCCCCCCCCONCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;s19;d20;s21;d22;s18s22;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35NO2 |
All Atoms: | 61 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8496 |
Area: | 539.045 |
Solvation: | -2.62653 |
Coulombic: | -31.2878 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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