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Chemical ID: 4488723

c1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)F

Chemical ID:

4488723

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)F

InChi [?]:

InChI=1/C24H16FNO3/c25-17-12-10-16(11-13-17)21-20-22(27)18-8-4-5-9-19(18)29-23(20)24(28)26(21)14-15-6-2-1-3-7-15/h1-13,21H,14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,16,3,5,14,17,24,28,25,27,7,4,23,26,13,18,10,9,11,20,21,29,8,12,22,19/E:(2,3)(6,7)(10,11)(12,13)/rA:29cCCCCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆FNO₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	9.27829
Area:	528.663
Solvation:	-3.93827
Coulombic:	-41.3253

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	385.387
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.29
LogP (Chemaxon):	4.57

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