Chemical ID: 4100862

c1ccc(cc1)CCN2Cc3cc(c4cccnc4c3OC2)Cl
Chemical ID:
4100862
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2Cc3cc(c4cccnc4c3OC2)Cl
InChi [?]:
InChI=1/C19H17ClN2O/c20-17-11-15-12-22(10-8-14-5-2-1-3-6-14)13-23-19(15)18-16(17)7-4-9-21-18/h1-7,9,11H,8,10,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,3,5,15,7,17,8,12,10,22,4,11,14,13,19,20,23,18,9,21/E:(2,3)(5,6)/rA:23cCCCCCCCCNCCCCCCCCNCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;s9s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.39183
Area:519.444
Solvation:-3.59427
Coulombic:-19.7711
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.804
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.51

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Descriptor Annotations

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