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Chemical ID: 5140537

c1cc(ccc1CC(=O)NN=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)F

Chemical ID:

5140537

Name [?]:

2-chloro-5-[5-[[2-(4-fluorophenyl)acetyl]aminoiminomethyl]-2-furyl]-benzoic acid

SMILES [?]:

c1cc(ccc1CC(=O)NN=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)F

InChi [?]:

InChI=1/C20H14ClFN2O4/c21-17-7-3-13(10-16(17)20(26)27)18-8-6-15(28-18)11-23-24-19(25)9-12-1-4-14(22)5-2-12/h1-8,10-11H,9H2,(H,24,25)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,5,19,2,4,14,20,15,7,23,12,6,18,3,13,22,21,16,8,24,27,28,11,10,9,25,26,17/E:(1,2)(4,5)(26,27)/rA:28nCCCCCCCCONNCCCCCOCCCCCCCOOClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;d24;s24;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₄ClFN₂O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.48886
Area:	586.482
Solvation:	-6.17319
Coulombic:	-57.1987

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	400.787
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.86
LogP (Chemaxon):	3.93

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