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Chemical ID: 4588408
Chemical ID:
4588408
Name [?]:
1-[(2,4-dichlorophenyl)methylene]indene
SMILES [?]:
c1ccc2c(c1)C=CC2=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2/c17-14-8-7-13(16(18)10-14)9-12-6-5-11-3-1-2-4-15(11)12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,12,13,10,15,5,9,11,14,4,16,18,17/rA:18nCCCCCCCCCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;w9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0965 |
Area: | 438.73 |
Solvation: | -0.871737 |
Coulombic: | -4.97382 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 273.156 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.22 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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