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Chemical ID: 6647535

c1ccc2cc(ccc2c1)OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4ccccc4F

Chemical ID:

6647535

Name [?]:

[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 2-fluorobenzoate

SMILES [?]:

c1ccc2cc(ccc2c1)OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4ccccc4F

InChi [?]:

InChI=1/C26H19FN2O4/c27-24-8-4-3-7-23(24)26(31)33-21-12-9-18(10-13-21)16-28-29-25(30)17-32-22-14-11-19-5-1-2-6-20(19)15-22/h1-16H,17H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,29,30,10,3,28,31,19,23,8,20,22,7,5,17,12,18,9,4,21,6,27,32,13,25,33,16,15,14,26,11,24/E:(9,10)(12,13)/rA:33nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₉FN₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.58305
Area:	687.359
Solvation:	-7.60093
Coulombic:	-50.1284

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.439
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.6
LogP (Chemaxon):	5.39

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

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Chemical Mix	Source	External ID	Descriptor	Value