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Chemical ID: 4272537
Chemical ID:
4272537
Name [?]:
6,6-dimethyl-3-styryl-5,7-dihydro-1H-indazol-4-one
SMILES [?]:
CC1(Cc2c(c(n[nH]2)C=Cc3ccccc3)C(=O)C1)C
InChi [?]:
InChI=1/C17H18N2O/c1-17(2)10-14-16(15(20)11-17)13(18-19-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,14,13,15,12,16,10,9,3,19,11,6,4,17,5,2,7,8,18/E:(1,2)(4,5)(6,7)/rA:20nCCCCCCNNCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s5;d17;s2s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43685 |
Area: | 440.907 |
Solvation: | -2.58581 |
Coulombic: | -18.994 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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