Chemical ID: 7383077

CCN1CCN(CC1)Cc2cc(=O)oc3c2ccc(c3C)O
Chemical ID:
7383077
Name [?]:
4-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one
SMILES [?]:
CCN1CCN(CC1)Cc2cc(=O)oc3c2ccc(c3C)O
InChi [?]:
InChI=1/C17H22N2O3/c1-3-18-6-8-19(9-7-18)11-13-10-16(21)22-17-12(2)15(20)5-4-14(13)17/h4-5,10,20H,3,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,17,18,4,8,5,7,11,9,20,10,16,19,12,15,3,6,22,13,14/E:(6,7)(8,9)/rA:22nCCNCCNCCCCCCOOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;s12;s14;s10s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.7831
Area:494.835
Solvation:-3.58778
Coulombic:-43.8789
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.7

Name Annotations

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Descriptor Annotations

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