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Chemical ID: 7156216
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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Experimental Annotations
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Descriptor Annotations
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