Chemical ID: 5789515

Cc1cc2c(cc1Cl)c(c(c(=O)o2)c3ccccc3Cl)C
Chemical ID:
5789515
Name [?]:
6-chloro-3-(2-chlorophenyl)-4,7-dimethyl-chromen-2-one
SMILES [?]:
Cc1cc2c(cc1Cl)c(c(c(=O)o2)c3ccccc3Cl)C
InChi [?]:
InChI=1/C17H12Cl2O2/c1-9-7-15-12(8-14(9)19)10(2)16(17(20)21-15)11-5-3-4-6-13(11)18/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,15,18,3,6,2,9,14,5,19,7,4,10,11,20,8,12,13/rA:21nCCCCCCCClCCCOOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s4s11;s10;s14;d15;s16;d17;d14s18;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1318
Area:483.632
Solvation:-1.95894
Coulombic:-21.9373
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:319.181
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.46
LogP (Chemaxon):5.77

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Descriptor Annotations

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