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Chemical ID: 4995226

Chemical ID:

4995226

Name [?]:

4-amino-1-hydroxy-2-methyl-anthracene-9,10-dione

SMILES [?]:

Cc1cc(c2c(c1O)C(=O)c3ccccc3C2=O)N

InChi [?]:

InChI=1/C15H11NO3/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6,17H,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,12,3,2,16,11,4,5,6,7,17,9,19,8,18,10/rA:19nCCCCCCCOCOCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s5s16;d17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁NO₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	6.65111
Area:	400.098
Solvation:	-3.35135
Coulombic:	-48.6404

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	253.253
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	1.69
LogP (Chemaxon):	3.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value