ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7516794

c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5cccc(c5)Oc6ccccc6

Chemical ID:

7516794

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5cccc(c5)Oc6ccccc6

InChi [?]:

InChI=1/C30H20FNO4/c31-21-14-15-25-24(17-21)28(33)26-27(20-10-7-13-23(16-20)35-22-11-5-2-6-12-22)32(30(34)29(26)36-25)18-19-8-3-1-4-9-19/h1-17,27H,18H2

InChi Info:

AuxInfo=1/0/N:1,34,2,6,33,35,26,3,5,25,32,36,27,16,17,29,14,7,4,24,15,31,28,13,18,10,9,11,20,21,23,8,12,22,30,19/E:(3,4)(5,6)(8,9)(11,12)/rA:36cCCCCCCCNCCCOCCCCCCOCCOFCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₀FNO₄
All Atoms:	56
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6612
Area:	628.53
Solvation:	-5.05208
Coulombic:	-48.4449

Bond Count [?]

All:	41
Single:	26
Double:	15
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.77
LogP (Chemaxon):	None

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