Chemical ID: 4088308

C[NH+]1CC2CC(C1)c3cccc(=O)n3C2
Chemical ID:
4088308
Name [?]:
None
SMILES [?]:
C[NH+]1CC2CC(C1)c3cccc(=O)n3C2
InChi [?]:
InChI=1/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,9,11,5,3,15,7,4,6,8,12,2,14,13/rA:15cCN+CCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s9;d10;s11;d12;s8s12;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N2O+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:-21.4694
Area:348.251
Solvation:-30.1757
Coulombic:11.9607
Bond Count [?]
All:17
Single:14
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:205.276
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.01
LogP (Chemaxon):0.47

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Descriptor Annotations

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