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Chemical ID: 6884016

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COC(=O)c3ccccc3F

Chemical ID:

6884016

Name [?]:

(4-phenoxyphenyl)carbamoylmethyl 2-fluorobenzoate

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COC(=O)c3ccccc3F

InChi [?]:

InChI=1/C21H16FNO4/c22-19-9-5-4-8-18(19)21(25)26-14-20(24)23-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,10,12,9,13,17,11,4,8,21,26,15,19,27,14,16,20,18,7/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCOCCCCCCNCOCOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆FNO₄
All Atoms:	43
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.25844
Area:	580.288
Solvation:	-5.24876
Coulombic:	-52.7687

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	365.354
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.34
LogP (Chemaxon):	4.24

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value