Chemical ID: 4712612

C1CCc2c(c(=O)n([nH]2)CCO)C1
Chemical ID:
4712612
Name [?]:
2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILES [?]:
C1CCc2c(c(=O)n([nH]2)CCO)C1
InChi [?]:
InChI=1/C9H14N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h10,12H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,13,3,10,11,5,4,6,9,8,12,7/rA:13nCCCCCCONNCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s4s8;s8;s10;s11;s1s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.62485
Area:340.33
Solvation:-2.88339
Coulombic:-38.0117
Bond Count [?]
All:14
Single:12
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:182.22
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.07
LogP (Chemaxon):0.05

Name Annotations

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Descriptor Annotations

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