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Chemical ID: 7086820
Chemical ID:
7086820
Name [?]:
4-(9H-fluoren-9-ylmethoxycarbonylamino)tetrahydropyran-4-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCOCC4)C(=O)O
InChi [?]:
InChI=1/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,24,21,23,14,5,7,4,12,13,25,16,19,18,26,27,17,22,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)(23,24)/rA:27nCCCCCCCCCCCCCCOCONCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s19;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO5 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71338 |
Area: | 560.684 |
Solvation: | -4.30372 |
Coulombic: | -70.2586 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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