(10-Phenyldecyl)benzene

CAS Number: 35511-93-4
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C(CCCCCc1ccccc1)CCCCc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C22H30
Molecular Weight
294.48
Drug-likeness
-7.6302
CAS
35511-93-4
InChI key
SSSBYZTYRWXPNJ-UHFFFAOYSA-N
SMILES
C(CCCCCc1ccccc1)CCCCc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 35511-93-4
Molecule Name (10-Phenyldecyl)benzene
Molecular Formula C22H30
SMILES C(CCCCCc1ccccc1)CCCCc1ccccc1
InChI InChI=1S/C22H30/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22/h7-8,11-14,17-20H,1-6,9-10,15-16H2
InChI Key SSSBYZTYRWXPNJ-UHFFFAOYSA-N
CanonicalSyTyLFy 8d1a83ef9ae32596
TotalMolweight 294.48
Molecular Weight 294.48
MonoisotopicMass 294.23475
CLogP 7.4962
CLogS -5.414
TotalSurfaceArea 270.62
Drug-likeness -7.6302
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.50016
Molecular Complexity 0.50377
Fragments 1
Non HAtoms 22
Rotatable Bond 11
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 10
Symmetricatoms 13

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