ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6919238

Chemical ID:

6919238

Name [?]:

7-methoxy-9,10-dihydrophenanthrene-2,5-diol

SMILES [?]:

COc1cc2c(c(c1)O)-c3ccc(cc3CC2)O

InChi [?]:

InChI=1/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,17,12,11,14,4,8,15,5,13,3,10,7,6,18,9,2/rA:18nCOCCCCCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;s10;d11;s12;d13;d10s14;s15;s5s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄O₃
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.54708
Area:	403.045
Solvation:	-3.52903
Coulombic:	-40.1522

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	242.27
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.97
LogP (Chemaxon):	3.34

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