Chemical ID: 7393465

CCCCN(CCCC)Cc1cc(=O)oc2c1ccc(c2C)O
Chemical ID:
7393465
Name [?]:
4-(dibutylaminomethyl)-7-hydroxy-8-methyl-chromen-2-one
SMILES [?]:
CCCCN(CCCC)Cc1cc(=O)oc2c1ccc(c2C)O
InChi [?]:
InChI=1/C19H27NO3/c1-4-6-10-20(11-7-5-2)13-15-12-18(22)23-19-14(3)17(21)9-8-16(15)19/h8-9,12,21H,4-7,10-11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,22,2,8,3,7,18,19,4,6,12,10,21,11,17,20,13,16,5,23,14,15/E:(1,2)(4,5)(6,7)(10,11)/rA:23nCCCCNCCCCCCCCOOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;d11;s12;d13;s13;s15;s11s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO3
All Atoms:50
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5622
Area:544.414
Solvation:-3.04813
Coulombic:-41.0499
Bond Count [?]
All:24
Single:19
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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