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Chemical ID: 6182625
Chemical ID:
6182625
Name [?]:
1-(4-methoxyphenyl)aminocyclohexane-1-carbonitrile
SMILES [?]:
COc1ccc(cc1)NC2(CCCCC2)C#N
InChi [?]:
InChI=1/C14H18N2O/c1-17-13-7-5-12(6-8-13)16-14(11-15)9-3-2-4-10-14/h5-8,16H,2-4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,5,7,4,8,11,15,16,6,3,10,17,9,2/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCOCCCCCCNCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s10;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6621 |
Area: | 408.768 |
Solvation: | -2.55711 |
Coulombic: | -23.8609 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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