Chemical ID: 7251739

c1cc(cc(c1)NC(=O)CN2CCCCCC2)C#N
Chemical ID:
7251739
Name [?]:
2-azepan-1-yl-N-(3-cyanophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)CN2CCCCCC2)C#N
InChi [?]:
InChI=1/C15H19N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,1,2,6,12,17,4,18,10,3,5,8,19,7,11,9/E:(1,2)(3,4)(8,9)/rA:19nCCCCCCNCOCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;s3;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.67034
Area:462.854
Solvation:-2.90101
Coulombic:-28.9925
Bond Count [?]
All:20
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.331
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.75
LogP (Chemaxon):2.17

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Descriptor Annotations

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