Chemical ID: 4622671

c1ccc(cc1)C(Cc2ccc3c(c2)OCCO3)N
Chemical ID:
4622671
Name [?]:
2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-1-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)C(Cc2ccc3c(c2)OCCO3)N
InChi [?]:
InChI=1/C16H17NO2/c17-14(13-4-2-1-3-5-13)10-12-6-7-15-16(11-12)19-9-8-18-15/h1-7,11,14H,8-10,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,17,16,8,14,9,4,7,12,13,19,18,15/E:(2,3)(4,5)/rA:19cCCCCCCCCCCCCCCOCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.17317
Area:445.366
Solvation:-2.96097
Coulombic:-30.9365
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.312
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.58

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Descriptor Annotations

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