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Chemical ID: 5185751
Chemical ID:
5185751
Name [?]:
cyclohexyl-(1H-indol-3-yl)methanone
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C15H17NO/c17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14/h4-5,8-11,16H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,2,13,17,6,3,8,12,5,7,4,10,9,11/E:(2,3)(6,7)/rA:17nCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.3449 |
Area: | 405.073 |
Solvation: | -1.78193 |
Coulombic: | -20.6576 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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