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Chemical ID: 4489330

c1cc2c(cc1CN3C(c4c(=O)c5cc(ccc5oc4C3=O)F)c6ccc(c(c6)Cl)Cl)OCO2

Chemical ID:

4489330

Name [?]:

None

SMILES [?]:

c1cc2c(cc1CN3C(c4c(=O)c5cc(ccc5oc4C3=O)F)c6ccc(c(c6)Cl)Cl)OCO2

InChi [?]:

InChI=1/C25H14Cl2FNO5/c26-16-4-2-13(8-17(16)27)22-21-23(30)15-9-14(28)3-6-18(15)34-24(21)25(31)29(22)10-12-1-5-19-20(7-12)33-11-32-19/h1-9,22H,10-11H2

InChi Info:

AuxInfo=1/0/N:1,25,16,26,2,17,5,29,14,7,33,6,24,15,13,27,28,18,3,4,10,9,11,20,21,31,30,23,8,12,22,34,32,19/rA:34cCCCCCCCNCCCOCCCCCCOCCOFCCCCCCClClOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s27;s4;s32;s3s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₄Cl₂FNO₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	9.57869
Area:	614.947
Solvation:	-5.79499
Coulombic:	-55.1135

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	498.286
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.29
LogP (Chemaxon):	5.29

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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