Chemical ID: 4514325

Cc1ccc2c(c1)c3c([nH]2)C(=O)CC3
Chemical ID:
4514325
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)C(=O)CC3
InChi [?]:
InChI=1/C12H11NO/c1-7-2-4-10-9(6-7)8-3-5-11(14)12(8)13-10/h2,4,6,13H,3,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,14,4,13,7,2,8,6,5,11,9,10,12/rA:14nCCCCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s8s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.61816
Area:346.752
Solvation:-2.05065
Coulombic:-19.1231
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.222
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.06
LogP (Chemaxon):2.18

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Descriptor Annotations

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