Chemical ID: 7120391

c1cc(ccc1C(=O)N2CCN(CC2)CCO)N(=O)=O
Chemical ID:
7120391
Name [?]:
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-nitrophenyl)-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCN(CC2)CCO)N(=O)=O
InChi [?]:
InChI=1/C13H17N3O4/c17-10-9-14-5-7-15(8-6-14)13(18)11-1-3-12(4-2-11)16(19)20/h1-4,17H,5-10H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,10,14,15,16,6,3,7,12,9,18,17,8,19,20/E:(1,2)(3,4)(5,6)(7,8)(19,20)/CRV:16.5/rA:20nCCCCCCCONCCNCCCCONOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;s3;d18;d18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O4
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.18493
Area:469.208
Solvation:-9.54527
Coulombic:-48.6763
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.292
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.4
LogP (Chemaxon):0.5

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