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Chemical ID: 7146244
Chemical ID:
7146244
Name [?]:
N-(3-chloro-2-methyl-phenyl)pyridine-2,5-diamine
SMILES [?]:
Cc1c(cccc1Cl)Nc2ccc(cn2)N
InChi [?]:
InChI=1/C12H12ClN3/c1-8-10(13)3-2-4-11(8)16-12-6-5-9(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,11,14,2,13,7,3,10,8,16,15,9/rA:16nCCCCCCCClNCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12ClN3 |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50148 |
Area: | 405.057 |
Solvation: | -1.62495 |
Coulombic: | -33.8727 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 233.697 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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