Chemical ID: 6409385

Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
Chemical ID:
6409385
Name [?]:
None
SMILES [?]:
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
InChi [?]:
InChI=1/C16H13NO2/c1-9-16-14(10-5-2-3-6-11(10)17-16)15-12(18)7-4-8-13(15)19-9/h2-3,5-6H,4,7-8H2,1H3/p+1
InChi Info:
AuxInfo=1/5/N:1,7,8,16,6,9,17,15,2,5,10,18,13,4,12,3,11,19,14/CRV:18-1,19+1/rA:19nCCCCCCCCCCNCCO+CCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;d12;d2s13;s13;s15;s16;s12s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14NO2+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-18.6073
Area:403.668
Solvation:-28.699
Coulombic:7.60341
Bond Count [?]
All:22
Single:15
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:252.288
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.68
LogP (Chemaxon):3.75

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