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Chemical ID: 4088307
Chemical ID:
4088307
Name [?]:
None
SMILES [?]:
CN1CC2CC(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
InChi Info:
AuxInfo=1/0/N:1,10,9,11,5,3,15,7,4,6,8,12,2,14,13/rA:15cCNCCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s9;d10;s11;d12;s8s12;s4s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.40716 |
Area: | 347.974 |
Solvation: | -2.29218 |
Coulombic: | -20.0016 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 204.268 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.01 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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