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Chemical ID: 6147268

Chemical ID:

6147268

Name [?]:

(4-ethoxyphenyl)carbamoylmethyl 4-fluorobenzoate

SMILES [?]:

CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C17H16FNO4/c1-2-22-15-9-7-14(8-10-15)19-16(20)11-23-17(21)12-3-5-13(18)6-4-12/h3-10H,2,11H2,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,18,22,19,21,6,8,5,9,13,17,20,7,4,11,15,23,10,12,16,3,14/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCOCCCCCCNCOCOCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆FNO₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.15582
Area:	534.287
Solvation:	-5.20136
Coulombic:	-51.4944

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	317.312
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.19
LogP (Chemaxon):	2.91

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value