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Chemical ID: 6733388
Chemical ID:
6733388
Name [?]:
None
SMILES [?]:
Cc1cc(c-2c(c1)C(=O)c3c2nccc3)C
InChi [?]:
InChI=1/C14H11NO/c1-8-6-9(2)12-11(7-8)14(16)10-4-3-5-15-13(10)12/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,14,15,13,3,7,2,4,10,6,5,11,8,12,9/rA:16nCCCCCCCCOCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11NO |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.64299 |
Area: | 374.263 |
Solvation: | -1.71358 |
Coulombic: | -14.4941 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 209.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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