Chemical ID: 7153205

c1cn(nc1[N+](=O)[O-])CCC(=O)N(C2CCCCC2)C3CCCCC3
Chemical ID:
7153205
Name [?]:
N,N-dicyclohexyl-3-(3-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1cn(nc1[N+](=O)[O-])CCC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C18H28N4O3/c23-18(12-14-20-13-11-17(19-20)22(24)25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11,13,15-16H,1-10,12,14H2
InChi Info:
AuxInfo=1/0/N:17,23,16,18,22,24,15,19,21,25,1,10,2,9,14,20,5,11,4,3,13,6,12,7,8/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)/CRV:22.5/rA:25nCCNNCN+OO-CCCONCCCCCCCCCCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s3;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s13;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N4O3
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.38529
Area:558.753
Solvation:-6.58352
Coulombic:-38.005
Bond Count [?]
All:27
Single:23
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:348.44
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):3.49

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Descriptor Annotations

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