Chemical ID: 4243427

c1ccc2c(c1)c(=O)n3c(n2)C(CC3)O
Chemical ID:
4243427
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)C(CC3)O
InChi [?]:
InChI=1/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,5,4,12,10,7,11,9,15,8/rA:15cCCCCCCCONCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.27714
Area:352.692
Solvation:-2.54017
Coulombic:-39.808
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:202.209
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.29
LogP (Chemaxon):0.68

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Descriptor Annotations

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