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Chemical ID: 5185395
Chemical ID:
5185395
Name [?]:
None
SMILES [?]:
CC12CCC(c3c1cccc3)N(C2=O)C
InChi [?]:
InChI=1/C13H15NO/c1-13-8-7-11(14(2)12(13)15)9-5-3-4-6-10(9)13/h3-6,11H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,10,9,11,8,4,3,6,7,5,13,2,12,14/rA:15cCCCCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s5;s2s12;d13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.0489 |
Area: | 352.027 |
Solvation: | -1.75178 |
Coulombic: | -17.8766 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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