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Chemical ID: 5789084
Chemical ID:
5789084
Name [?]:
9H-fluoren-9-ylmethyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC4CO
InChi [?]:
InChI=1/C20H21NO3/c22-12-14-6-5-11-21(14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2
InChi Info:
AuxInfo=1/0/N:1,9,2,10,20,21,6,8,3,11,19,23,14,22,5,7,4,12,13,16,18,24,17,15/E:(1,2)(3,4)(7,8)(9,10)(15,16)(17,18)/rA:24cCCCCCCCCCCCCCCOCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s18s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30171 |
Area: | 518.934 |
Solvation: | -3.67164 |
Coulombic: | -47.3922 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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