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1-Cmtbao

1-Cmtbao structure

CAS No:
89177-61-7
Formula:
C13H15NO3S
Chemical Name:
1-Cmtbao
Synonyms:
1-Cmtbao;3-(mercaptomethyl-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid), dicyclohexylamine salt

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1-Cmtbao Basic Attributes

Molecular Weight：

265.3281

Exact Mass：

265.077

Characteristics

PSA：

58.6

XLogP3：

1.5

Drug Information

MeSH Entry Terms：

1-(carboxymethyl)-3-(mercaptomethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Computed Properties

Molecular Weight:265.33
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:265.07726451
Monoisotopic Mass:265.07726451
Topological Polar Surface Area:58.6
Heavy Atom Count:18
Complexity:334
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Cmtbao

Basic Attributes
Characteristics
Drug Information
Computed Properties

1-Cmtbao

SDS

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