4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7(18),8,10-triene-10,17-diol

4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7(18),8,10-triene-10,17-diol

CAS: 55096-26-9

Formula: C21H25NO3

SMILES: OC1=C2OC3C(=C)CCC4(O)C5CC(C=C1)=C2C34CCN5CC1CC1

IUPAC: 4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0?,¹?.0?,¹?]octadeca-7(18),8,10-triene-10,17-diol

InChI: InChI=1/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2

Composition: C (74.31%), H (7.42%), N (4.13%), O (14.14%)

Molar Mass: 339.435

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	339.183443669
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WJBLNOPPDWQMCH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.21
Topological Polar Surface Area	52.93
Polarizability	37.33
Ring Count	6
Rotatable Bond Count	2

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