Chemical ID: 6487625

Cc1c2c([nH]n1)CC(C=C2)(C)C
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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