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Chemical ID: 7377273
Chemical ID:
7377273
Name [?]:
(2,5-difluorophenyl)carbamoylmethyl 4-phenoxybenzoate
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)C(=O)OCC(=O)Nc3cc(ccc3F)F
InChi [?]:
InChI=1/C21H15F2NO4/c22-15-8-11-18(23)19(12-15)24-20(25)13-27-21(26)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,12,24,9,13,25,22,17,11,23,4,8,26,21,18,14,28,27,20,19,15,16,7/E:(2,3)(4,5)(6,7)(9,10)/rA:28nCCCCCCOCCCCCCCOOCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F2NO4 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33959 |
Area: | 591.318 |
Solvation: | -5.44335 |
Coulombic: | -56.7703 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 383.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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