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Chemical ID: 5215159
Chemical ID:
5215159
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3N2C(=O)CC3
InChi [?]:
InChI=1/C12H13NO/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h1-4,10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,13,5,9,4,11,10,12/rA:14cCCCCCCCCCNCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.46547 |
Area: | 334.963 |
Solvation: | -1.9086 |
Coulombic: | -15.7202 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 187.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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