Chemical ID: 4947588

CCNCCNc1c2ccccc2nc3c1cccc3
Chemical ID:
4947588
Name [?]:
N'-acridin-9-yl-N-ethyl-ethane-1,2-diamine
SMILES [?]:
CCNCCNc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C17H19N3/c1-2-18-11-12-19-17-13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)17/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,10,18,11,19,9,17,12,20,4,5,8,16,13,15,7,3,6,14/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:20nCCNCCNCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0588
Area:471.643
Solvation:-1.73229
Coulombic:-28.2337
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.353
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):3.07

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Descriptor Annotations

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