Chemical ID: 5606193

c1ccc(cc1)CN2Cc3cc(ccc3OC2)Cl
Chemical ID:
5606193
Name [?]:
9-benzyl-3-chloro-7-oxa-9-azabicyclo[4.4.0]deca-2,4,11-triene
SMILES [?]:
c1ccc(cc1)CN2Cc3cc(ccc3OC2)Cl
InChi [?]:
InChI=1/C15H14ClNO/c16-14-6-7-15-13(8-14)10-17(11-18-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,14,11,7,9,17,4,10,12,15,18,8,16/E:(2,3)(4,5)/rA:18cCCCCCCCNCCCCCCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.17187
Area:438.622
Solvation:-2.79367
Coulombic:-14.9175
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:259.73
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):4.17

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Descriptor Annotations

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