Chemical ID: 7257946

c1cc(ccc1C#N)C(=O)NCC2CCCCC2
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

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Descriptor Annotations

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