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Chemical ID: 6688180
Chemical ID:
6688180
Name [?]:
2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILES [?]:
CCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
InChi [?]:
InChI=1/C20H21NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h3-6,8-11,17-18H,2,7,12H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,17,24,16,23,3,18,25,15,22,12,19,20,14,21,13,4,5,9,8,6,7,10,11/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(22,23)/rA:25cCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1272 |
Area: | 564.413 |
Solvation: | -2.98311 |
Coulombic: | -63.5034 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.385 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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