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Chemical ID: 7195403
Chemical ID:
7195403
Name [?]:
4-(3,4-dichlorophenyl)-2-(difluoromethyl)-7,9-dimethyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C)c3ccc(c(c3)Cl)Cl)C(F)F
InChi [?]:
InChI=1/C15H11Cl2F2N3/c1-7-13-9(14(18)19)6-12(20-15(13)22(2)21-7)8-3-4-10(16)11(17)5-8/h3-6,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,13,14,17,5,2,12,4,15,16,6,3,20,8,19,18,21,22,7,10,9/E:(18,19)/rA:22nCCCCCCNCNNCCCCCCCClClCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;d13;s14;d15;d12s16;s16;s15;s4;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2F2N3 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81142 |
Area: | 499.616 |
Solvation: | -3.67898 |
Coulombic: | -20.0133 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 342.17 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.45 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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