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Chemical ID: 6048184
Chemical ID:
6048184
Name [?]:
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclodecane-1-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCCCCCCCC4)C(=O)O
InChi [?]:
InChI=1/C26H31NO4/c28-24(29)26(16-10-4-2-1-3-5-11-17-26)27-25(30)31-18-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h6-9,12-15,23H,1-5,10-11,16-18H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:24,23,25,22,26,1,9,2,10,21,27,6,8,3,11,20,28,14,5,7,4,12,13,29,16,19,18,30,31,17,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(21,22)(28,29)/rA:31nCCCCCCCCCCCCCCOCONCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s26;s19s27;s19;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7269 |
Area: | 620.689 |
Solvation: | -2.79027 |
Coulombic: | -65.1333 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.529 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.4 |
LogP (Chemaxon): | 5.82 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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