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Chemical ID: 6908326
Chemical ID:
6908326
Name [?]:
(4-fluorophenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C16H14FNO4/c1-21-14-8-2-11(3-9-14)16(20)22-10-15(19)18-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,7,18,20,17,21,4,8,12,6,19,16,3,13,9,22,15,14,10,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCOCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO4 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33314 |
Area: | 507.046 |
Solvation: | -5.343 |
Coulombic: | -51.2146 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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