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Chemical ID: 7257946
Chemical ID:
7257946
Name [?]:
4-cyano-N-(cyclohexylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)NCC2CCCCC2
InChi [?]:
InChI=1/C15H18N2O/c16-10-12-6-8-14(9-7-12)15(18)17-11-13-4-2-1-3-5-13/h6-9,13H,1-5,11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,18,1,5,2,4,7,12,6,13,3,9,8,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCNCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60613 |
Area: | 461.297 |
Solvation: | -1.9263 |
Coulombic: | -27.0813 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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