Chemical ID: 5789084

c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC4CO
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

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Descriptor Annotations

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