Chemical ID: 3967377

CN1CCN=C(c2c1ccc(c2)Cl)c3ccccc3
Chemical ID:
3967377
Name [?]:
10-chloro-6-methyl-2-phenyl-3,6-diazabicyclo[5.4.0]undeca-2,7,9,11-tetraene
SMILES [?]:
CN1CCN=C(c2c1ccc(c2)Cl)c3ccccc3
InChi [?]:
InChI=1/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,10,9,4,3,12,14,11,7,8,6,13,5,2/E:(3,4)(5,6)/rA:19cCNCCNCCCCCCCClCCCCCC/rB:s1;s2;s3;s4;d5;s6;s2s7;d8;s9;d10;d7s11;s11;s6;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.71322
Area:442.368
Solvation:-2.34598
Coulombic:-14.0775
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.756
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.4
LogP (Chemaxon):4.29

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