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Chemical ID: 6679987
Chemical ID:
6679987
Name [?]:
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4(CCCCC4)C(=O)O
InChi [?]:
InChI=1/C22H23NO4/c24-20(25)22(12-6-1-7-13-22)23-21(26)27-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14H2,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:22,1,9,2,10,21,23,6,8,3,11,20,24,14,5,7,4,12,13,25,16,19,18,26,27,17,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)(24,25)/rA:27nCCCCCCCCCCCCCCOCONCCCCCCCOO/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: | C22H23NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3051 |
Area: | 563.407 |
Solvation: | -2.78013 |
Coulombic: | -63.9877 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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