Chemical ID: 6691950

c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC=C(C4)C(=O)O
Chemical ID:
6691950
Name [?]:
1-(9H-fluoren-9-ylmethoxycarbonyl)-5,6-dihydro-2H-pyridine-3-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC=C(C4)C(=O)O
InChi [?]:
InChI=1/C21H19NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,6-10,19H,5,11-13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,20,21,6,8,3,11,19,23,14,22,5,7,4,12,13,24,16,18,25,26,17,15/E:(1,2)(3,4)(7,8)(9,10)(15,16)(17,18)(23,24)/rA:26nCCCCCCCCCCCCCCOCONCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9062
Area:547.728
Solvation:-2.78701
Coulombic:-59.5971
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.38
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):3.36

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Descriptor Annotations

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