MetaADEDB 2.0 @ LMMD
4-tolyl isocyanate
(MGYGFNQQGAQEON-UHFFFAOYSA-N)
Structure
SMILES
O=C=Nc1ccc(cc1)C
Molecular Formula:
C8H7NO
Molecular Weight:
133.147
Log P:
1.9623
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
29.43
CAS Number(s):
622-58-2; 374675-64-6
Synonym(s)
1.
4-tolyl isocyanate
2.
para-tolyl isocyanate
3.
tolyl mono-isocyanate
External Link(s)
MeSHC025637
PubChem Compound69325
ChEBI53732
ZINC1845938
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Respiratory Hypersensitivity16940033
17693426
22381623
CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120263

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.