Chemical ID: 4272537

CC1(Cc2c(c(n[nH]2)C=Cc3ccccc3)C(=O)C1)C
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

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Descriptor Annotations

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