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Chemical ID: 6487625
Chemical ID:
6487625
Name [?]:
3,6,6-trimethyl-1,7-dihydroindazole
SMILES [?]:
Cc1c2c([nH]n1)CC(C=C2)(C)C
InChi [?]:
InChI=1/C10H14N2/c1-7-8-4-5-10(2,3)6-9(8)12-11-7/h4-5H,6H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,9,7,2,3,4,8,6,5/E:(2,3)/rA:12nCCCCNNCCCCCC/rB:s1;s2;d3;s4;d2s5;s4;s7;s8;s3d9;s8;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66253 |
Area: | 322.183 |
Solvation: | -1.39205 |
Coulombic: | -10.1036 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.232 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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