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Chemical ID: 5173257
Chemical ID:
5173257
Name [?]:
2-azonan-1-ylpropyl 2-hydroxy-2,2-diphenyl-acetate
SMILES [?]:
CC(COC(=O)C(c1ccccc1)(c2ccccc2)O)N3CCCCCCCC3
InChi [?]:
InChI=1/C25H33NO3/c1-21(26-18-12-4-2-3-5-13-19-26)20-29-24(27)25(28,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,28H,2-5,12-13,18-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,24,27,11,17,10,12,16,18,23,28,9,13,15,19,22,29,3,2,8,14,5,7,21,6,20,4/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,13)(14,15,16,17)(18,19)(22,23)/rA:29cCCCOCOCCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s2;s21;s22;s23;s24;s25;s26;s27;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2121 |
Area: | 614.063 |
Solvation: | -3.13949 |
Coulombic: | -47.9864 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.534 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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