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Chemical ID: 4970891

Chemical ID:

4970891

Name [?]:

N-(6-chloro-2-methoxy-acridin-9-yl)ethane-1,2-diamine

SMILES [?]:

COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCN

InChi [?]:

InChI=1/C16H16ClN3O/c1-21-11-3-5-14-13(9-11)16(19-7-6-18)12-4-2-10(17)8-15(12)20-14/h2-5,8-9H,6-7,18H2,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,12,4,11,5,20,19,14,8,13,3,10,7,6,15,9,17,21,18,16,2/rA:21nCOCCCCCCCCCCCCCNClNCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;s10;d11;s12;d13;d10s14;d6s15;s13;s9;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆ClN₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.24625
Area:	493.537
Solvation:	-3.09217
Coulombic:	-37.1767

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	301.771
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	2.89
LogP (Chemaxon):	2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value