Chemical ID: 7329728

c1c(c2cc(c(cc2oc1=O)O)Cl)CN3CCCCC3
Chemical ID:
7329728
Name [?]:
6-chloro-7-hydroxy-4-(1-piperidylmethyl)chromen-2-one
SMILES [?]:
c1c(c2cc(c(cc2oc1=O)O)Cl)CN3CCCCC3
InChi [?]:
InChI=1/C15H16ClNO3/c16-12-7-11-10(9-17-4-2-1-3-5-17)6-15(19)20-14(11)8-13(12)18/h6-8,18H,1-5,9H2
InChi Info:
AuxInfo=1/0/N:18,17,19,16,20,1,4,7,14,2,3,5,6,8,10,13,15,12,11,9/E:(2,3)(4,5)/rA:20nCCCCCCCCOCOOClCNCCCCC/rB:d1;s2;s3;d4;s5;d6;d3s7;s8;s1s9;d10;s6;s5;s2;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO3
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.38108
Area:467.676
Solvation:-3.31083
Coulombic:-39.3278
Bond Count [?]
All:22
Single:17
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.745
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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