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Chemical ID: 4259350

Chemical ID:

4259350

Name [?]:

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

SMILES [?]:

Cc1ccc2c(c1N)C(=O)c3ccccc3C2=O

InChi [?]:

InChI=1/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₅H₁₁NO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.67764
Area:	391.044
Solvation:	-2.09844
Coulombic:	-34.6569

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	237.253
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.52
LogP (Chemaxon):	2.78

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

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Chemical Mix	Source	External ID	Descriptor	Value