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Chemical ID: 4585994

c1ccc(cc1)OCCOc2ccc(cc2)Nc3c4ccccc4nc5c3cccc5

Chemical ID:

4585994

Name [?]:

N-[4-(2-phenoxyethoxy)phenyl]acridin-9-amine

SMILES [?]:

c1ccc(cc1)OCCOc2ccc(cc2)Nc3c4ccccc4nc5c3cccc5

InChi [?]:

InChI=1/C27H22N2O2/c1-2-8-21(9-3-1)30-18-19-31-22-16-14-20(15-17-22)28-27-23-10-4-6-12-25(23)29-26-13-7-5-11-24(26)27/h1-17H,18-19H2,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,21,29,22,30,3,5,20,28,23,31,13,15,12,16,8,9,14,4,11,19,27,24,26,18,17,25,7,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(23,24)(25,26)/rA:31nCCCCCCOCCOCCCCCCNCCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂N₂O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3071
Area:	643.016
Solvation:	-4.76833
Coulombic:	-35.0153

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	406.476
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.07
LogP (Chemaxon):	6.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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