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Chemical ID: 6462373
Chemical ID:
6462373
Name [?]:
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC4CCCCC4C(=O)O
InChi [?]:
InChI=1/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,22,21,6,8,3,11,23,20,14,5,7,4,12,24,13,19,25,16,18,26,27,17,15/E:(1,2)(3,4)(7,8)(9,10)(14,15)(16,17)(24,25)/rA:27cCCCCCCCCCCCCCCOCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1342 |
Area: | 571.912 |
Solvation: | -3.16363 |
Coulombic: | -62.5217 |
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: | 4.68 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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