ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 3965265

Chemical ID:

3965265

Name [?]:

7-ethoxyacridine-3,9-diamine

SMILES [?]:

CCOc1ccc2c(c1)c(c3ccc(cc3n2)N)N

InChi [?]:

InChI=1/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,13,5,12,6,15,9,14,4,11,8,7,16,10,18,19,17,3/rA:19nCCOCCCCCCCCCCCCCNNN/rB:s1;s2;s3;s4;d5;s6;s7;d4s8;d8;s10;s11;d12;s13;d14;d11s15;d7s16;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅N₃O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.18683
Area:	434.316
Solvation:	-2.67106
Coulombic:	-45.9271

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	253.299
H-Bond Donors:	4
H-Bond Acceptors:	3
XLogP:	1.76
LogP (Chemaxon):	2.06

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