Q105256381

[object Object]
Name(2e,4e,6z,8e)-n-(2-methylpropyl)deca-2,4,6,8-tetraenimidic acid
WikidataQ105256381
Mol. formulaC14H21NO
CAS registry number-
Mol. weight219.3232

Representations

Temporary LOTUS idLTS0209188
Name(2e,4e,6z,8e)-n-(2-methylpropyl)deca-2,4,6,8-tetraenimidic acid
Canonical SMILESC/C=C/C=C\C=C\C=C\C(O)=NCC(C)C
2D SMILESCC=CC=CC=CC=CC(O)=NCC(C)C
IUPAC name(2E,4E,6Z,8E)-N-(2-methylpropyl)deca-2,4,6,8-tetraenimidic acid
InChIInChI=1S/C14H21NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-11,13H,12H2,1-3H3,(H,15,16)/b5-4+,7-6-,9-8+,11-10+
InChIKeySNFDOCOZZFRJEQ-CDOSPGSVSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Acmella  Acmella ciliata Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Fatty acidsFatty Acids and ConjugatesBranched fatty acids

Molecular Properties

Total atom number37
Heavy atom number16
Bond count15
Number of carbons14
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 1
Alogp3.38
Alogp211.44
Apol 40.5447
Bpol 24.2773
EccentricConnectivityIndexDescriptor 298
FmfDescriptor 0
Fsp3 0.3571
FragmentComplexityDescriptor 1056.02
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 0
WienerPathNumber622
Xlogp 4.104
ZagrebIndex 62
TopoPSA 32.59