ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7574774

Chemical ID:

7574774

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)cc3c4c2ccc5c4c(ccc5)C(C3O)O

InChi [?]:

InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H

InChi Info:

AuxInfo=1/0/N:1,2,17,6,18,3,16,12,11,7,13,5,4,10,15,8,14,9,19,20,22,21/rA:22cCCCCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9s13;d14;s15;d16;d13s17;s15;s8s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₄O₂
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	7.70022
Area:	436.206
Solvation:	-3.20493
Coulombic:	-37.3826

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.62
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