Chemical ID: 5165819

Cc1cc(=O)n2c3c1ccc(c3OC2)N
Chemical ID:
5165819
Name [?]:
None
SMILES [?]:
Cc1cc(=O)n2c3c1ccc(c3OC2)N
InChi [?]:
InChI=1/C11H10N2O2/c1-6-4-9(14)13-5-15-11-8(12)3-2-7(6)10(11)13/h2-4H,5,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,3,14,2,8,11,4,7,12,15,6,5,13/rA:15nCCCCONCCCCCCOCN/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s6s13;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.21341
Area:346.41
Solvation:-2.44683
Coulombic:-41.2271
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:202.209
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.76
LogP (Chemaxon):1.8

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Experimental Annotations

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Descriptor Annotations

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