Chemical ID: 6314246

c1ccc(c(c1)C#N)NC(=O)CN2CCCCCC2
Chemical ID:
6314246
Name [?]:
2-azepan-1-yl-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)CN2CCCCCC2
InChi [?]:
InChI=1/C15H19N3O/c16-11-13-7-3-4-8-14(13)17-15(19)12-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10,12H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,15,18,6,3,14,19,7,12,5,4,10,8,9,13,11/E:(1,2)(5,6)(9,10)/rA:19nCCCCCCCNNCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.80148
Area:456.076
Solvation:-2.60041
Coulombic:-29.7135
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:2.18
LogP (Chemaxon):2.17

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Descriptor Annotations

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