Chemical ID: 4556548

Cc1c(c(=O)c2ccc3c(c2o1)OCCCO3)c4ccc(cc4)Cl
Chemical ID:
4556548
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)c2ccc3c(c2o1)OCCCO3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C19H15ClO4/c1-11-16(12-3-5-13(20)6-4-12)17(21)14-7-8-15-19(18(14)24-11)23-10-2-9-22-15/h3-8H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,19,23,20,22,7,8,16,14,2,18,21,6,9,3,4,11,10,24,5,17,13,12/E:(3,4)(5,6)/rA:24nCCCCOCCCCCCOOCCCOCCCCCCCl/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s10;s13;s14;s15;s9s16;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.95657
Area:512.893
Solvation:-4.86574
Coulombic:-32.022
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:342.773
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.37
LogP (Chemaxon):3.76

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Descriptor Annotations

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