Chemical ID: 7356613

CCN1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(=O)N
Chemical ID:
7356613
Name [?]:
4-(4-ethylpiperazin-1-yl)-3-nitro-benzamide
SMILES [?]:
CCN1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(=O)N
InChi [?]:
InChI=1/C13H18N4O3/c1-2-15-5-7-16(8-6-15)11-4-3-10(13(14)18)9-12(11)17(19)20/h3-4,9H,2,5-8H2,1H3,(H2,14,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,4,8,5,7,13,12,9,14,18,20,3,6,15,19,16,17/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:20nCCNCCNCCCCCCCCN+OO-CON/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N4O3
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.55905
Area:461.407
Solvation:-8.97613
Coulombic:-46.5757
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.307
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.95
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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