Chemical ID: 7320573

c1cc(ccc1[N+](=O)[O-])OCC(=O)NC2(CCCCC2)C#N
Chemical ID:
7320573
Name [?]:
N-(1-cyanocyclohexyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OCC(=O)NC2(CCCCC2)C#N
InChi [?]:
InChI=1/C15H17N3O4/c16-11-15(8-2-1-3-9-15)17-14(19)10-22-13-6-4-12(5-7-13)18(20)21/h4-7H,1-3,8-10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,5,2,4,16,20,11,21,6,3,12,15,22,14,7,13,8,9,10/E:(2,3)(4,5)(6,7)(8,9)(20,21)/CRV:18.5/rA:22nCCCCCCN+OO-OCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s15;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O4
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:2.18139
Area:508.306
Solvation:-10.5263
Coulombic:-41.9339
Bond Count [?]
All:23
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.313
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.95
LogP (Chemaxon):2.12

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Descriptor Annotations

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