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Chemical ID: 3967758
Chemical ID:
3967758
Name [?]:
None
SMILES [?]:
c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)O
InChi [?]:
InChI=1/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
InChi Info:
AuxInfo=1/0/N:16,17,1,2,22,23,11,12,7,14,15,6,3,20,8,5,4,18,10,9,13,25,21,24,19/E:(1,2)/rA:25cCCCCCCCCCCCCNCCCCCOCOCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;s11;s8s12;s13;s14;s15;s15s16;s10;s4s18;s18;d20;s20;s9s22;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.7 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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