Chemical ID: 7156216

c1c(cn(n1)CCC(=O)NC2CCCCCC2)[N+](=O)[O-]
Chemical ID:
7156216
Name [?]:
N-cycloheptyl-3-(4-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1c(cn(n1)CCC(=O)NC2CCCCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H20N4O3/c18-13(15-11-5-3-1-2-4-6-11)7-8-16-10-12(9-14-16)17(19)20/h9-11H,1-8H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,12,17,7,6,1,3,11,2,8,5,10,4,18,9,19,20/E:(1,2)(3,4)(5,6)(19,20)/CRV:17.5/rA:20nCCCNNCCCONCCCCCCCN+OO-/rB:s1;d2;s3;d1s4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;s2;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N4O3
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.60495
Area:490.517
Solvation:-7.65796
Coulombic:-37.3121
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.323
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):1.36

Name Annotations

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Descriptor Annotations

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