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Chemical ID: 7666548

c1ccc(cc1)C2(C(=O)c3ccccc3C2=O)Sc4ccccc4

Chemical ID:

7666548

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C2(C(=O)c3ccccc3C2=O)Sc4ccccc4

InChi [?]:

InChI=1/C21H14O2S/c22-19-17-13-7-8-14-18(17)20(23)21(19,15-9-3-1-4-10-15)24-16-11-5-2-6-12-16/h1-14H

InChi Info:

AuxInfo=1/0/N:1,22,2,6,21,23,12,13,3,5,20,24,11,14,4,19,10,15,8,16,7,9,17,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(22,23)/rA:24nCCCCCCCCOCCCCCCCOSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;s7;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₄O₂S
All Atoms:	38
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0189
Area:	486.902
Solvation:	-2.15369
Coulombic:	-22.2323

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.07
LogP (Chemaxon):	None

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