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Chemical ID: 4942112

CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1ccc(c3)Cl)Cl

Chemical ID:

4942112

Name [?]:

N'-(3,6-dichloroacridin-9-yl)-N,N-diethyl-pentane-1,4-diamine

SMILES [?]:

CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1ccc(c3)Cl)Cl

InChi [?]:

InChI=1/C22H27Cl2N3/c1-4-27(5-2)12-6-7-15(3)25-22-18-10-8-16(23)13-20(18)26-21-14-17(24)9-11-19(21)22/h8-11,13-15H,4-7,12H2,1-3H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,5,10,2,4,7,8,15,23,14,22,6,17,25,9,16,24,13,21,18,20,12,27,26,11,19,3/E:(1,2)(4,5)(8,9)(10,11)(13,14)(16,17)(18,19)(20,21)(23,24)/rA:27cCCNCCCCCCCNCCCCCCCNCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;d22;s23;s20d24;s24;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇Cl₂N₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	14.0896
Area:	632.623
Solvation:	-1.72594
Coulombic:	-24.6906

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	404.375
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.24
LogP (Chemaxon):	5.73

Name Annotations

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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