Chemical ID: 5063760

c1cc(cc(c1)O)C(=O)N2CCN(CC2)C(=O)c3cccc(c3)O
Chemical ID:
5063760
Name [?]:
[4-(3-hydroxybenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)-methanone
SMILES [?]:
c1cc(cc(c1)O)C(=O)N2CCN(CC2)C(=O)c3cccc(c3)O
InChi [?]:
InChI=1/C18H18N2O4/c21-15-5-1-3-13(11-15)17(23)19-7-9-20(10-8-19)18(24)14-4-2-6-16(22)12-14/h1-6,11-12,21-22H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,20,2,19,6,21,11,15,12,14,4,23,3,18,5,22,8,16,10,13,7,24,9,17/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCOCONCCNCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.17769
Area:520.116
Solvation:-4.8252
Coulombic:-66.2915
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.347
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.91
LogP (Chemaxon):1.46

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Descriptor Annotations

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