UCSF

ZINC20111388

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 Yes

Popular Name: 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride 2-(6-Amino-3-imino-3H-xanthen-9-…

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CAS Number: 13558-31-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.48 -51.38 4 5 0 105 330.343 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Mp [°C] >360 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )