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Chemical ID: 5012758
Chemical ID:
5012758
Name [?]:
[2-[(acetyl-cyclohexyl-amino)methyl]phenyl] acetate
SMILES [?]:
CC(=O)N(Cc1ccccc1OC(=O)C)C2CCCCC2
InChi [?]:
InChI=1/C17H23NO3/c1-13(19)18(16-9-4-3-5-10-16)12-15-8-6-7-11-17(15)21-14(2)20/h6-8,11,16H,3-5,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,19,18,20,8,9,7,17,21,10,5,2,13,6,16,11,4,3,14,12/E:(4,5)(9,10)/rA:21nCCONCCCCCCCOCOCCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s4;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52039 |
Area: | 452.446 |
Solvation: | -2.79075 |
Coulombic: | -34.0101 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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