[1,4-14C]putrescine dihydrochloride

ID: ALA3229239

Chembl Id: CHEMBL3229239

PubChem CID: 90668874

Max Phase: Preclinical

Molecular Formula: C4H13ClN2

Molecular Weight: 88.15

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cl.N[14CH2]CC[14CH2]N

Standard InChI:  InChI=1S/C4H12N2.ClH/c5-3-1-2-4-6;/h1-6H2;1H/i3+2,4+2;

Standard InChI Key:  BPHGMWVJJCWDPB-MZCPDTSISA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 88.15

Molecular Weight (Monoisotopic): 88.1000

AlogP: -0.32

#Rotatable Bonds: 3

Polar Surface Area: 52.04

Molecular Species: BASE

HBA: 2

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 2

HBD (Lipinski): 4

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 10.51

CX LogP: -0.85

CX LogD: -6.05

Aromatic Rings: ┄

Heavy Atoms: 6

QED Weighted: 0.46

Np Likeness Score: 0.57

References

1. Huang CC, Korn N, Counsell RE..  (1979)  Potential organ- or tumor-imaging agents. 18. Radioiodinated diamines and bisquaternaries.,  22  (4): [PMID:430482] [10.1021/jm00190a018]

Source

Source(1):

• Scientific Literature