Chemical ID: 4567235

CCc1c(c2cc3c(cc2oc1=O)occ3c4ccc(cc4)Cl)C
Chemical ID:
4567235
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)occ3c4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C20H15ClO3/c1-3-14-11(2)15-8-16-17(12-4-6-13(21)7-5-12)10-23-18(16)9-19(15)24-20(14)22/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,18,22,19,21,6,9,15,4,17,20,3,5,7,16,8,10,12,23,13,14,11/E:(4,5)(6,7)/rA:24nCCCCCCCCCCOCOOCCCCCCCCClC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2391
Area:526.37
Solvation:-2.92018
Coulombic:-27.9817
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.784
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.26
LogP (Chemaxon):6.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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