Chemical ID: 7325985

Cc1c(ccc2c1oc(=O)cc2CN3CCCCCC3)O
Chemical ID:
7325985
Name [?]:
4-(azepan-1-ylmethyl)-7-hydroxy-8-methyl-chromen-2-one
SMILES [?]:
Cc1c(ccc2c1oc(=O)cc2CN3CCCCCC3)O
InChi [?]:
InChI=1/C17H21NO3/c1-12-15(19)7-6-14-13(10-16(20)21-17(12)14)11-18-8-4-2-3-5-9-18/h6-7,10,19H,2-5,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,5,4,15,20,11,13,2,12,6,3,9,7,14,21,10,8/E:(2,3)(4,5)(8,9)/rA:21nCCCCCCCOCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s15;s16;s17;s18;s14s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3
All Atoms:42
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.63053
Area:465.388
Solvation:-3.00416
Coulombic:-39.9515
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:287.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.49
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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