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Chemical ID: 6691950
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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