Chemical ID: 4152485

CCCCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
Chemical ID:
4152485
Name [?]:
pentyl 2-[3-(2-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCCCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
InChi [?]:
InChI=1/C22H21ClO5/c1-2-3-6-11-26-21(24)14-27-15-9-10-17-20(12-15)28-13-18(22(17)25)16-7-4-5-8-19(16)23/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,24,25,4,23,26,12,13,5,16,18,9,11,22,14,19,27,15,7,20,28,8,21,6,10,17/rA:28nCCCCCOCOCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s14s19;d20;s19;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21ClO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2676
Area:644.705
Solvation:-4.85004
Coulombic:-44.44
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.852
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.7
LogP (Chemaxon):5.3

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Descriptor Annotations

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