Chemical ID: 4153017

COC(=O)CCc1c(nc2ccccc2n1)O
Chemical ID:
4153017
Name [?]:
methyl 3-(3-hydroxyquinoxalin-2-yl)propanoate
SMILES [?]:
COC(=O)CCc1c(nc2ccccc2n1)O
InChi [?]:
InChI=1/C12H12N2O3/c1-17-11(15)7-6-10-12(16)14-9-5-3-2-4-8(9)13-10/h2-5H,6-7H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,6,5,15,10,7,3,8,16,9,4,17,2/rA:17nCOCOCCCCNCCCCCCNO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.21518
Area:415.45
Solvation:-3.17108
Coulombic:-45.7737
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.235
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.78
LogP (Chemaxon):1.63

Name Annotations

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Descriptor Annotations

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