2,5,19-triazatetracyclo[13.4.0.0²,?.0?,¹³]nonadeca-1(19),8(13),9,11,15,17-hexaene

2,5,19-triazatetracyclo[13.4.0.0²,?.0?,¹³]nonadeca-1(19),8(13),9,11,15,17-hexaene

CAS: 61337-68-6

Formula: C16H17N3

SMILES: C1CN2C(CN1)C1=C(CC3=CC=CN=C23)C=CC=C1

IUPAC: 2,5,19-triazatetracyclo[13.4.0.0²,?.0?,¹³]nonadeca-1(19),8(13),9,11,15,17-hexaene

InChI: InChI=1/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2

Composition: C (76.46%), H (6.82%), N (16.72%)

Molar Mass: 251.333

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	normirtazapine
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	251.142247559
Formal Charge	0
FSP3	0.31
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FGLAMNFOHWVQOH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.36
Topological Polar Surface Area	28.16
Polarizability	29.38
Ring Count	4
Rotatable Bond Count	0

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