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Chemical ID: 7156844
Chemical ID:
7156844
Name [?]:
N-cyclohexyl-3-(3-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1cn(nc1[N+](=O)[O-])CCC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C12H18N4O3/c17-12(13-10-4-2-1-3-5-10)7-9-15-8-6-11(14-15)16(18)19/h6,8,10H,1-5,7,9H2,(H,13,17)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,10,2,9,14,5,11,13,4,3,6,12,7,8/E:(2,3)(4,5)(18,19)/CRV:16.5/rA:19nCCNNCN+OO-CCCONCCCCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s3;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.15139 |
Area: | 476.129 |
Solvation: | -6.75182 |
Coulombic: | -41.4549 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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