Chemical ID: 4338673

c1ccc(cc1)Cn2c3ccccc3c(=O)[nH]2
Chemical ID:
4338673
Name [?]:
1-benzyl-2H-indazol-3-one
SMILES [?]:
c1ccc(cc1)Cn2c3ccccc3c(=O)[nH]2
InChi [?]:
InChI=1/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,7,4,14,9,15,17,8,16/E:(2,3)(6,7)/rA:17cCCCCCCCNCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.89735
Area:398.568
Solvation:-2.06686
Coulombic:-24.8381
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:224.258
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.46
LogP (Chemaxon):2.83

Name Annotations

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Descriptor Annotations

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