What is the molecular formula of CHEMBRDG-BB 4003359?
The molecular formula of CHEMBRDG-BB 4003359 is C9H12N2O2.
What is the molecular weight of CHEMBRDG-BB 4003359?
The molecular weight of CHEMBRDG-BB 4003359 is 180.20 g/mol.
What is the IUPAC name of CHEMBRDG-BB 4003359?
The IUPAC name of CHEMBRDG-BB 4003359 is 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid.
What is the InChI of CHEMBRDG-BB 4003359?
The InChI of CHEMBRDG-BB 4003359 is InChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13).
What is the InChIKey of CHEMBRDG-BB 4003359?
The InChIKey of CHEMBRDG-BB 4003359 is SJHDAHRJTPYHED-UHFFFAOYSA-N.
What is the canonical SMILES of CHEMBRDG-BB 4003359?
The canonical SMILES of CHEMBRDG-BB 4003359 is CN(CC1=CN=CC=C1)CC(=O)O.
What is the CAS number of CHEMBRDG-BB 4003359?
The CAS number of CHEMBRDG-BB 4003359 is 99362-37-5.
What is the XLogP3 value of CHEMBRDG-BB 4003359?
The XLogP3 value of CHEMBRDG-BB 4003359 is -2.2.
How many hydrogen bond donor counts are there in CHEMBRDG-BB 4003359?
There is 1 hydrogen bond donor count in CHEMBRDG-BB 4003359.
How many rotatable bond counts are there in CHEMBRDG-BB 4003359?
There are 4 rotatable bond counts in CHEMBRDG-BB 4003359.