C1CN(CCN(C1)CC2=CC=C(C=C2)Cl)CCCCl
Name: 1-[(4-chlorophenyl)methyl]-4-(3-chloropropyl)-1,4-diazepane
SMILES: C1CN(CCN(C1)CC2=CC=C(C=C2)Cl)CCCCl

Molecular Processing

Molecular formula
C15H22Cl2N2
Molecular weight
301.26
Exact mass
300.116
XLogP
3.48
TPSA
6.48
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
83.12

Supplementary Information

InChIKey: YRPRWXSCYUBHEB-UHFFFAOYSA-N
Synonyme
SCHEMBL10665802YRPRWXSCYUBHEB-UHFFFAOYSA-N1-(4-chlorobenzyl)-4-(3-chloropropyl)homopiperazine
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