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Chemical ID: 7697291
Chemical ID:
7697291
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)NC(C)CC(C)C
InChi [?]:
InChI=1/C14H21NO/c1-10(2)8-12(4)15-14(16)13-7-5-6-11(3)9-13/h5-7,9-10,12H,8H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,12,4,3,5,13,7,14,2,11,6,8,10,9/E:(1,2)/rA:16cCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.45833 |
Area: | 432.75 |
Solvation: | -1.36041 |
Coulombic: | -24.3432 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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