Chemical ID: 4604156

COC(=O)CNc1c2ccccc2nc3c1cccc3
Chemical ID:
4604156
Name [?]:
methyl 2-acridin-9-ylaminoacetate
SMILES [?]:
COC(=O)CNc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C16H14N2O2/c1-20-15(19)10-17-16-11-6-2-4-8-13(11)18-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,18,11,19,9,17,12,20,5,8,16,13,15,3,7,6,14,4,2/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:20nCOCOCNCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.45348
Area:452.775
Solvation:-2.86589
Coulombic:-37.2845
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):2.68

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