UCSF

ZINC03872049

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 7 Yes

Popular Name: Chloral hydrate Chloral hydrate

Find On: PubMed — Wikipedia — Google

CAS Number: 302-17-0

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) 0.87 -1.25 -3.08 2 2 0 40 165.403 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.762 Bitter DB
ALOGPS_SOLUBILITY 4.34e+01 g/l DrugBank-Street Drugs
UniProt Database Links AL1A1_RAT ChEBI
Patent Database Links EP0860439; EP1346983; EP1566376; EP1785145; EP1849792; US2003124059; US2003207812; US2005014678; US2005070552; US2005249662; US2006079484; US2006173067; US2006178391; WO2005026163; WO2006119104; WO2006120133 ChEBI
H phrase H301: Toxic if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: R Acros Organics
R phrase R25: Toxic if swallowed.; R36/38: Irritating to eyes and skin. Acros Organics
S phrase S25: Avoid contact with eyes.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

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