5H-Dibenzo[c,f][1,2]diazepine, 3,8-dichloro-6,11-dihydro

5H-Dibenzo[c,f][1,2]diazepine, 3,8-dichloro-6,11-dihydro
Compound Structure:
Synonyms: 3,8-Dichloro-6,11-dihydro-5H-dibenzo[c,f][1,2]diazepine;955-66-8;5H-Dibenzo[c,f][1,2]diazepine, 3,8-dichloro-6,11-dihydro-;3,8-Dichloro-6,11-dihydro-5H-dibenzo[c,f][1,2]diazepine
Compound ID: NMPC-449
PubChem ID:

622034
Molecular Formula: C13H10Cl2N2
Canonical SMILES: C1C2=C(C=C(C=C2)Cl)NNC3=C1C=CC(=C3)Cl
InChIKey: KNCSFVPWGXYVKA-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

265.13 g/mol

XLogP3-AA

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

264.0221037 g/mol

Monoisotopic Mass

264.0221037 g/mol

Topological Polar Surface Area

24.1Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

248

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

       Source: PubChem

                                                  
Source Species: Datura stramonium
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